Zaheer Ul-Haq

发表

Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach

Reaz Uddin, Zaheer Ul-Haq, S. Khan, 2020, Journal of biomolecular structure & dynamics.

Exploring Novel N-Myristoyltransferase Inhibitors: A Molecular Dynamics Simulation Approach

Sajda Ashraf, Zaheer Ul-Haq, Ruqaiya Khalil, 2019, ACS omega.

Active site characterization and structure based 3D-QSAR studies on non-redox type 5-lipoxygenase inhibitors.

Zaheer Ul-Haq, Naveed Khan, Syed Kashif Zafar, 2016, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

A combined 3D-QSAR and docking studies for the In-silico prediction of HIV-protease inhibitors

Zaheer Ul-Haq, Saman Usmani, H. Shamshad, 2013, Chemistry Central Journal.

Structure based virtual screening-driven identification of monastrol as a potent urease inhibitor.

U. Rashid, Iram Batool, Zaheer Ul-Haq, 2013, Journal of molecular graphics & modelling.

Molecular docking- and genetic algorithm-based approaches to produce robust 3D-QSAR models

Reaz Uddin, Zaheer Ul-Haq, R. Uddin, 2013, Medicinal Chemistry Research.

A combined 3D-QSAR and molecular docking strategy to understand the binding mechanism of V600EB-RAF inhibitors

Zaheer Ul-Haq, Uzma Mahmood, Sauleha Reza, 2012, Molecular Diversity.

Bioisosteric approach in designing new monastrol derivatives: an investigation on their ADMET prediction using in silico derived parameters.

U. Rashid, Zaheer Ul-Haq, F. Ansari, 2013, Journal of molecular graphics & modelling.

3D Structure Prediction of Human β1-Adrenergic Receptor via Threading-Based Homology Modeling for Implications in Structure-Based Drug Designing

Zaheer Ul-Haq, S. A. Halim, Waqasuddin Khan, 2015, PloS one.

An in-silico evaluation of COVID-19 main protease with clinically approved drugs

Zaheer Ul-Haq, W. Tachoua, M. Kabrine, 2020, Journal of Molecular Graphics and Modelling.

Identification of potential TNF-α inhibitors: from in silico to in vitro studies

Komal Zia, Sajda Ashraf, Zaheer Ul-Haq, 2020, Scientific Reports.

Optimization of Structure Based Virtual Screening Protocols Against Thymidine Monophosphate Kinase Inhibitors as Antitubercular Agents

Zaheer Ul-Haq, S. Gul, Reaz Uddin , 2011, Molecular informatics.

Binding site identification and role of permanent water molecule of PIM-3 kinase: A molecular dynamics study.

Zaheer Ul-Haq, Saman Usmani, A. Wadood, 2015, Journal of molecular graphics & modelling.

Ligand‐Based 3D‐QSAR Studies of Diaryl Acyl‐sulfonamide Analogues as Human Umbilical Vein Endothelial Cells Inhibitors Stimulated by VEGF

R. Uddin, Zaheer Ul-Haq, Uzma Mahmood, 2011, Chemical biology & drug design.

Aryl hydrazones linked thiazolyl coumarin hybrids as potential urease inhibitors

Zaheer Ul-Haq, M. Lodhi, K. Khan, 2021, Journal of the Iranian Chemical Society.

Insights into the molecular basis of acetylcholinesterase inhibition by xanthones: an integrative in silico and in vitro approach

Zaheer Ul-Haq, A. Khalid, M. A. Mohamed, 2020 .

Isatin thiazoles as antidiabetic: Synthesis, in vitro enzyme inhibitory activities, kinetics, and in silico studies

Zaheer Ul-Haq, A. Jabeen, F. Saleem, 2022, Archiv der Pharmazie.

Structural insight into TNF-α inhibitors through combining pharmacophore-based virtual screening and molecular dynamic simulation

Zaheer Ul-Haq, D. Nerukh, M. Saeed, 2020, Journal of biomolecular structure & dynamics.

Template-based structure prediction and molecular dynamics simulation study of two mammalian Aspartyl-tRNA synthetases.

R. Sattar, Zaheer Ul-Haq, S. T. Moin, 2010, Journal of molecular graphics & modelling.

Synthesis and anti-Cancer Activity of a New Hybrid Based Spirooxindole-Pyrrolidine -Thiochromene Scaffolds via [3 + 2] Cycloaddition Reaction: Computational Investigation

L. Domingo, M. Haukka, Zaheer Ul-Haq, 2022, Polycyclic Aromatic Compounds.

Antibacteria, Antiurease, and Antiproliferative Abruquinones from Abrus precatorius Roots

Zaheer Ul-Haq, O. Erukainure, E. Okoro, 2022, Journal of Biologically Active Products from Nature.

Coumarin derivatives as acetyl- and butyrylcholinestrase inhibitors: An in vitro, molecular docking, and molecular dynamics simulations study

M. El-abadelah, Zaheer Ul-Haq, M. Mubarak, 2019, Heliyon.

Immunoinformatic approach for the construction of multi-epitopes vaccine against omicron COVID-19 variant

S. Khan, R. Uddin, Zaheer Ul-Haq, 2022, Virology.

Discovery of Potential Chemical Probe as Inhibitors of CXCL12 Using Ligand-Based Virtual Screening and Molecular Dynamic Simulation

Zaheer Ul-Haq, A. Barakat, S. Haider, 2020, Molecules.

Re-purposing of hepatitis C virus FDA approved direct acting antivirals as potential SARS-CoV-2 protease inhibitors

R. Uddin, Zaheer Ul-Haq, Kanwal Khan, 2021, Journal of Molecular Structure.

Quantum mechanics and 3D-QSAR studies on thienopyridine analogues: inhibitors of IKKβ

Sajda Ashraf, Zaheer Ul-Haq, A. Morales-Bayuelo, 2020, Heliyon.

Insulin releasing effect of some pure compounds from Moringa oleifera on mice islets

A. Hameed, R. Hafizur, R. Waraich, 2018, Medicinal Chemistry Research.

The Nucleoside Adenosine Inhibits Intracellular Microvascular α2C-Adrenoceptor Surface Trafficking

Zaheer Ul-Haq, S. Mohsin, M. Saeed, 2022, Journal of Molecular Structure.

Anti-hyperglycemic and anti-hyperlipidemic effects of rhinacanthins-rich extract from Rhinacanthus nasutus leaves in nicotinamide-streptozotocin induced diabetic rats.

Zaheer Ul-Haq, Ruqaiya Khalil, W. Reanmongkol, 2019, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

Synthesis, molecular structure, spectral analysis, and biological activity of new malonamide derivatives as α-glucosidase inhibitors

Zaheer Ul-Haq, M. Choudhary, M. Islam, 2017 .

Synthesis, antioxidant activities and urease inhibition of some new 1,2,4-triazole and 1,3,4-thiadiazole derivatives.

R. Uddin, Zaheer Ul-Haq, Ajmal Khan, 2010, European journal of medicinal chemistry.

Synthesis of a New Class of Spirooxindole–Benzo[b]Thiophene-Based Molecules as Acetylcholinesterase Inhibitors

Sajda Ashraf, Zaheer Ul-Haq, M. Islam, 2020, Molecules.

Bioactivity, Safety, and Efficacy of Amphotericin B Nanomicellar Aerosols Using Sodium Deoxycholate Sulfate as the Lipid Carrier

Zaheer Ul-Haq, Ruqaiya Khalil, T. Srichana, 2018, AAPS PharmSciTech.

Degradation kinetics of fluvoxamine in buffer solutions: In silico ADMET profiling and identification of degradation products by LC-MS/ESI

Zaheer Ul-Haq, F. A. Siddiqui, Asia Naz, 2020 .

An in-silico evaluation of COVID-19 main protease with clinically approved drugs

Zaheer Ul-Haq, W. Tachoua, M. Kabrine, 2020, Journal of Molecular Graphics and Modelling.

Synthesis of pyrimidine-2,4,6-trione derivatives: Anti-oxidant, anti-cancer, α-glucosidase, β-glucuronidase inhibition and their molecular docking studies.

Zaheer Ul-Haq, Ruqaiya Khalil, M. Islam, 2016, Bioorganic chemistry.

Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands

Zaheer Ul-Haq, A. Barakat, J. Albering, 2020, Applied Sciences.

Nicotinamide-cinnamic acid cocktail exerts pancreatic β-cells survival coupled with insulin secretion through ERK1/2 signaling pathway in an animal model of apoptosis

Zaheer Ul-Haq, Urooj Qureshi, Syed Ahsan Raza Shah, 2021, DARU Journal of Pharmaceutical Sciences.

Inhibitory Effects of Myrtucommuacetalone 1 (MCA-1) from Myrtus Communis on Inflammatory Response in Mouse Macrophages

Zaheer Ul-Haq, M. Choudhary, S. A. Halim, 2019, Molecules.

Deciphering the Impact of Mutations on the Binding Efficacy of SARS-CoV-2 Omicron and Delta Variants With Human ACE2 Receptor

S. Khan, Komal Zia, Zaheer Ul-Haq, 2022, Frontiers in Chemistry.

Pharmacologically Safe Nanomicelles of Amphotericin B With Lipids: Nuclear Magnetic Resonance and Molecular Docking Approach.

Zaheer Ul-Haq, Ruqaiya Khalil, T. Srichana, 2017, Journal of pharmaceutical sciences.

Anti-diarrheal activities of phytol along with its possible mechanism of action through in-vivo and in-silico models.

B. Salehi, J. Sharifi‐Rad, W. Setzer, 2020, Cellular and molecular biology.

Efficient one-pot synthesis of arylated pyrazole-fused pyran analogs: as leads to treating diabetes and Alzheimer's disease.

Zaheer Ul-Haq, F. Saleem, K. Khan, 2022, Future medicinal chemistry.

Sarcorucinine-D Inhibits Cholinesterases and Calcium Channels: Molecular Dynamics Simulation and In Vitro Mechanistic Investigations

Zaheer Ul-Haq, A. Khalid, M. Albratty, 2022, Molecules.

Eriodictyol stimulates insulin secretion through cAMP/PKA signaling pathway in mice islets

A. Hameed, R. Hafizur, G. Abbas, 2018, European journal of pharmacology.

Biomolecular interactions of amphotericin B nanomicelles with serum albumins: A combined biophysical and molecular docking approach.

Zaheer Ul-Haq, Ruqaiya Khalil, T. Srichana, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Syntheses, in vitro, and in silico studies of rhodanine-based schiff bases as potential α-amylase inhibitors and radicals (DPPH and ABTS) scavengers.

Zaheer Ul-Haq, K. Khan, S. Chigurupati, 2022, Molecular diversity.

Tambulin from Zanthoxylum armatum acutely potentiates the glucose-induced insulin secretion via KATP-independent Ca2+-dependent amplifying pathway.

A. Hameed, R. Hafizur, Sajda Ashraf, 2019, Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie.

Preparation and characterization of anticancer niosomal withaferin–A formulation for improved delivery to cancer cells: In vitro, in vivo, and in silico evaluation

Zaheer Ul-Haq, Ruqaiya Khalil, A. Mushtaq, 2020, Journal of Drug Delivery Science and Technology.

In-silico identification of the binding mode of synthesized adamantyl derivatives inside cholinesterase enzymes

Raed A. Al‐Qawasmeh, Zaheer Ul-Haq, A. Khalid, 2015, Acta Pharmacologica Sinica.

New lead compounds identification against KRas mediated cancers through pharmacophore-based virtual screening and in vitro assays

A. Rehman, S. S. Azam, R. Uddin, 2022, Journal of biomolecular structure & dynamics.

Synthesis of azachalcones, their α-amylase, α-glucosidase inhibitory activities, kinetics, and molecular docking studies.

Zaheer Ul-Haq, F. Saleem, K. Khan, 2020, Bioorganic chemistry.

Potential of sodium deoxycholate sulfate as a carrier for polymyxin B: Physicochemical properties, bioactivity and in vitro safety

Zaheer Ul-Haq, Ruqaiya Khalil, S. Tiengrim, 2020 .

Synthesis of Novel 8-Hydroxyquinoline Derivatives through Mannich Reaction and their Biological Evaluation as Potential Immunomodulatory Agents.

Zaheer Ul-Haq, A. Jabeen, S. A. Halim, 2019, Medicinal chemistry (Shariqah (United Arab Emirates)).

The immunomodulation potential of the synthetic derivatives of benzothiazoles: Implications in immune system disorders through in vitro and in silico studies.

Z. Rehman, A. Hameed, Zaheer Ul-Haq, 2016, Bioorganic chemistry.

Cheminformatics-Based Discovery of Potential Chemical Probe Inhibitors of Omicron Spike Protein

S. Khan, Komal Zia, Zaheer Ul-Haq, 2022, International journal of molecular sciences.

Identification of novel Epac2 antagonists through in silico and in vitro analyses.

A. Hameed, R. Hafizur, Sajda Ashraf, 2020, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Synthesis, Anti-microbial and Molecular Docking Studies of Quinazolin-4(3H)-one Derivatives

Y. Mabkhot, A. Aldalbahi, Zaheer Ul-Haq, 2014, Molecules.

Molecular docking- and genetic algorithm-based approaches to produce robust 3D-QSAR models

R. Uddin, Zaheer Ul-Haq, M. Saeed, 2014, Medicinal Chemistry Research.

Synthesis and Antiproliferative Activity of a New Series of Mono- and Bis(dimethylpyrazolyl)-s-triazine Derivatives Targeting EGFR/PI3K/AKT/mTOR Signaling Cascades

F. Albericio, A. Aldalbahi, B. G. de la Torre, 2022, ACS omega.

Structure and ligand-based drug discovery of IL-4 inhibitors via interaction-energy-based learning approaches

M. Al-Dosari, Sajda Ashraf, Zaheer Ul-Haq, 2021, Journal of biomolecular structure & dynamics.

Pharmacophore-based Virtual Screening and In-vitro activity Evaluation of α -Chymotrypsin Inhibitors.

Zaheer Ul-Haq, M. Yousuf, S. Gul, 2016 .

Synthesis and QSAR analysis of chalcone derivatives as nitric oxide inhibitory agent

M. B. A. Rahman, R. Uddin, Zaheer Ul-Haq, 2012, Medicinal Chemistry Research.

Thiadiazine-thione derivatives ameliorate STZ-induced diabetic neuropathy by regulating insulin and neuroinflammatory signaling.

M. Idrees, I. Kong, Zaheer Ul-Haq, 2022, International immunopharmacology.

Design, Synthesis and In Vitro Evaluation of Spirooxindole-Based Phenylsulfonyl Moiety as a Candidate Anti-SAR-CoV-2 and MERS-CoV-2 with the Implementation of Combination Studies

L. Domingo, Komal Zia, Zaheer Ul-Haq, 2022, International journal of molecular sciences.

Design of a novel multiple epitope-based vaccine: an immunoinformatics approach to combat monkeypox

Chandni Hayat, S. Khan, Zaheer Ul-Haq, 2022, Journal of biomolecular structure & dynamics.

Molecular docking simulation studies on potent butyrylcholinesterase inhibitors obtained from microbial transformation of dihydrotestosterone

Zaheer Ul-Haq, M. Choudhary, Uzma Mahmood, 2013, Chemistry Central Journal.

Identification of novel Interleukin-2 inhibitors through computational approaches

Zaheer Ul-Haq, S. A. Halim, A. Wadood, 2013, Molecular Diversity.

Human serum albumin-specific recognition of the natural herbal extract of Stryphnodendron polyphyllum through STD NMR, hyphenations and docking simulation studies

A. Ferreira, J. Fernandes, Zaheer Ul-Haq, 2015 .

In silico modeling of the specific inhibitory potential of thiophene-2,3-dihydro-1,5-benzothiazepine against BChE in the formation of β-amyloid plaques associated with Alzheimer's disease

Zaheer Ul-Haq, F. Ansari, Waqasuddin Khan, 2010, Theoretical Biology and Medical Modelling.

Biology-oriented drug synthesis (BIODS), in vitro urease inhibitory activity, and in silico studies on ibuprofen derivatives

Zaheer Ul-Haq, Ruqaiya Khalil, Ajmal Khan, 2020, Molecular Diversity.

Biology-oriented drug synthesis (BIODS), in vitro urease inhibitory activity, and in silico studies on ibuprofen derivatives

Zaheer Ul-Haq, Ruqaiya Khalil, Ajmal Khan, 2020, Molecular Diversity.

Synthesis and biological activity of oxadiazole and triazolothiadiazole derivatives as tyrosinase inhibitors.

M. B. Abdul Rahman, Zaheer Ul-Haq, N. Lajis, 2010, Bioorganic & medicinal chemistry letters.

Design, Synthesis and Docking Studies of Flavokawain B Type Chalcones and Their Cytotoxic Effects on MCF-7 and MDA-MB-231 Cell Lines

Zaheer Ul-Haq, N. Alitheen, S. Yeap, 2018, Molecules.

Dithiocarbamate derivatives inhibit α‐glucosidase through an apparent allosteric site on the enzyme

Sajda Ashraf, Zaheer Ul-Haq, Fatih Demirci, 2021, Chemical biology & drug design.

Identification of potent urease inhibitors via ligand- and structure-based virtual screening and in vitro assays.

Shahnaz Perveen, Abdul Wadood, Zaheer Ul-Haq, 2010, Journal of molecular graphics & modelling.

Synthesis, crystal structure, evaluation of urease inhibition potential and the docking studies of cobalt(III) complex based on barbituric acid Schiff base ligand

Zaheer Ul-Haq, M. Choudhary, A. El‐Faham, 2020 .

Synthesis, antimicrobial activity, pharmacophore modeling and molecular docking studies of new pyrazole-dimedone hybrid architectures

Mohamed H. Al-Agamy, M. Ali, Assem Barakat, 2018, Chemistry Central Journal.

Synthesis and dynamics studies of barbituric acid derivatives as urease inhibitors

Sajda Ashraf, Zaheer Ul-Haq, M. Choudhary, 2015, Chemistry Central Journal.

5-Acetyl-6-methyl-4-aryl-3,4-dihydropyrimidin-2(1H)-ones: As potent urease inhibitors; synthesis, in vitro screening, and molecular modeling study.

Sajda Ashraf, Zaheer Ul-Haq, M. Lodhi, 2018, Bioorganic chemistry.

Synthesis of 2-Aminopyrimidine Derivatives and Their Evaluation as β-Glucuronidase Inhibitors: In Vitro and In Silico Studies

S. Kiran, Zaheer Ul-Haq, S. Iqbal, 2022, Molecules.

Catalytic asymmetric synthesis of indole derivatives as novel α-glucosidase inhibitors in vitro.

Zaheer Ul-Haq, Ruqaiya Khalil, M. Islam, 2018, Bioorganic chemistry.

Indole acrylonitriles as potential anti-hyperglycemic agents: Synthesis, α-glucosidase inhibitory activity and molecular docking studies.

Zaheer Ul-Haq, F. Saleem, J. Iqbal, 2020, Bioorganic & Medicinal Chemistry.

Novel 4,6-Disubstituted s-Triazin-2-yl Amino Acid Derivatives as Promising Antifungal Agents

F. Albericio, Zaheer Ul-Haq, A. El‐Faham, 2020, Journal of fungi.

Betamethasone Dipropionate Derivatization, Biotransformation, Molecular Docking, and ADME Analysis as Glucocorticoid Receptor

Komal Zia, Zaheer Ul-Haq, S. Shah, 2022, BioMed research international.

Bioinformatics: A rational combine approach used for the identification and in-vitro activity evaluation of potent β-Glucuronidase inhibitors

Zaheer Ul-Haq, M. Yousuf, M. Choudhary, 2018, PloS one.

Synthesis, Bioactivity, Molecular Docking and POM Analyses of Novel Substituted Thieno[2,3-b]thiophenes and Related Congeners

Y. Mabkhot, S. Al-showiman, A. Rauf, 2015, Molecules.

Designing Functionally Substituted Pyridine-Carbohydrazides for Potent Antibacterial and Devouring Antifungal Effect on Multidrug Resistant (MDR) Strains

S. Khalifa, H. El‐Seedi, Sajda Ashraf, 2022, Molecules.

Hydrazinyl thiazole linked indenoquinoxaline hybrids: Potential leads to treat hyperglycemia and oxidative stress; Multistep synthesis, α-amylase, α-glucosidase inhibitory and antioxidant activities.

Zaheer Ul-Haq, F. Saleem, K. Khan, 2022, International journal of biological macromolecules.

In silico studies of urease inhibitors to explore ligand-enzyme interactions

Zaheer Ul-Haq, A. Wadood, F. Ansari, 2009 .

Synthesis, In Vitro and in Cell Study of a New Spirooxindoles-Based N-Alkylated Maleimides Targeting HER2/3 Signaling Pathway

L. Domingo, Komal Zia, Sajda Ashraf, 2022, Polycyclic Aromatic Compounds.

Design and synthesis of chalcone derivatives as potent tyrosinase inhibitors and their structural activity relationship

Zaheer Ul-Haq, Syahidah Ahmad, S. Shah, 2015 .

Phenylpyrazalopyrimidines as Tyrosine Kinase Inhibitors: Synthesis, Antiproliferative Activity, and Molecular Simulations

K. Parang, R. Tiwari, D. Mandal, 2020, Molecules.

α-Glucosidase inhibitory effect of rhinacanthins-rich extract from Rhinacanthus nasutus leaf and synergistic effect in combination with acarbose

Zaheer Ul-Haq, Ruqaiya Khalil, P. Panichayupakaranant, 2017 .

4-Benzyloxylonchocarpin and Muracatanes A-C from Ranunculus muricatus L. and Their Biological Effects

D. Staerk, R. Ullah, G. Abbas, 2020, Biomolecules.

Molecular Docking Studies and Anti-Alzheimer’s Potential of Isolated Compounds from Tinospora cordifolia

Zaheer Ul-Haq, T. Elufioye, Zaid A. Sherwani, 2020 .

Natural flavonoid α-glucosidase inhibitors from Retama raetam: Enzyme inhibition and molecular docking reveal important interactions with the enzyme active site.

Zaheer Ul-Haq, M. Nur-E-Alam, M. Yousaf, 2019, Bioorganic chemistry (Print).

Withanolides, a new class of natural cholinesterase inhibitors with calcium antagonistic properties.

Abdul Malik, Atta ur-Rahman, Sammer Yousuf, 2005, Biochemical and biophysical research communications.

In Silico and In Vitro Immunomodulatory Studies on Compounds of Lindelofia stylosa

Zaheer Ul-Haq, A. Jabeen, M. Choudhary, 2012, Chemical biology & drug design.

Formulation and optimization of dimenhydrinate emulgels for topical delivery using response surface methodology.

Zaheer Ul-Haq, Ruqaiya Khalil, A. Yousaf, 2021, Pakistan journal of pharmaceutical sciences.

Virtual Screening, Synthesis and Biological Evaluation of Streptococcus mutans Mediated Biofilm Inhibitors

Zaheer Ul-Haq, Ruqaiya Khalil, F. Saleem, 2022, Molecules.

Probing CAS database as prospective antiviral agents against SARS-CoV-2 main protease

S. Khan, Komal Zia, Sajda Ashraf, 2021, Journal of Molecular Structure.

Purification and Characterization of a Nonspecific Lipid Transfer Protein 1 (nsLTP1) from Ajwain (Trachyspermum ammi) Seeds

Aftab Ahmed, Zaheer Ul-Haq, Zaheer Ul-Haq, 2019, Scientific Reports.

Amphiphilic desmuramyl peptides for the rational design of new vaccine adjuvants: Synthesis, in vitro modulation of inflammatory response and molecular docking studies.

Farooq A. Khan, M. Ulanova, Zaheer Ul-Haq, 2020, European journal of medicinal chemistry.

Synthesis and characterisation of thiobarbituric acid enamine derivatives, and evaluation of their α-glucosidase inhibitory and anti-glycation activity

Hessa H. Al-Rasheed, F. Albericio, B. G. de la Torre, 2020, Journal of enzyme inhibition and medicinal chemistry.

Peptide Conjugates of 18β-Glycyrrhetinic Acid as Potent Inhibitors of α-Glucosidase and AGEs-Induced Oxidation.

Sajda Ashraf, Zaheer Ul-Haq, F. Shaheen, 2021, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Synthesis, and In Vitro and In Silico α-Glucosidase Inhibitory Studies of 5-Chloro-2-Aryl Benzo[d]thiazoles.

Zaheer Ul-Haq, Ruqaiya Khalil, S. Perveen, 2018, Bioorganic chemistry.

Reprofiling of full‐length phosphonated carbocyclic 2′‐oxa‐3′‐aza‐nucleosides toward antiproliferative agents: Synthesis, antiproliferative activity, and molecular docking study

Zaheer Ul-Haq, Ashraf N. Abdalla, H. Shamshad, 2017, Chemical biology & drug design.

Structure-based 3D-QSAR models and dynamics analysis of novel N-benzyl pyridinone as p38α MAP kinase inhibitors for anticytokine activity.

Zaheer Ul-Haq, S. R. Zia, Waqasuddin Khan, 2012, Journal of molecular graphics & modelling.

In-silico analysis of chromone containing sulfonamide derivatives as human carbonic anhydrase inhibitors.

G. Abbas, Zaheer Ul-Haq, Saman Usmani, 2013, Medicinal chemistry (Shariqah (United Arab Emirates)).

Benzilydene and thiourea derivatives as new classes of carbonic anhydrase inhibitors: an in vitro and molecular docking study

A. Rauf, Sajda Ashraf, Zaheer Ul-Haq, 2020, Medicinal Chemistry Research.

Immunosuppressive Activity of Buxidin and E‐Buxenone from Buxus hyrcana

Aqeel Ahmad, Zaheer Ul-Haq, S. Murad, 2010, Chemical biology & drug design.

Synthesis of Oxindole Analogues, Biological Activity, and In Silico Studies

Zaheer Ul-Haq, M. Choudhary, E. S. E. El Tamany, 2019, ChemistrySelect.

Interleukin-4 receptor signaling and its binding mechanism: A therapeutic insight from inhibitors tool box.

Zaheer Ul-Haq, Sehrish Naz, M. Mesaik, 2016, Cytokine & growth factor reviews.

Molecular dynamics simulation of interleukin-2 and its complex and determination of the binding free energy

Zaheer Ul-Haq, S. R. Zia, 2018, Molecular Simulation.

Structural and Functional Characterization of RNA-binding Site of Rev and Rev-Response-Element RNA Complex via All Atom Molecular Dynamics Simulations

Zaheer Ul-Haq, A. Barakat, M. Al-agamy, 2018 .

Identification of Potential Urease Inhibitors and Antioxidants based on Saccharin Derived Analogs: Synthesis, In Vitro, and In Silico Studies

S. Khan, Zaheer Ul-Haq, F. Saleem, 2022, Journal of Molecular Structure.

Benzylidine indane-1,3-diones: As novel urease inhibitors; synthesis, in vitro, and in silico studies.

Zaheer Ul-Haq, M. Lodhi, F. Begum, 2018, Bioorganic chemistry.

In silico based investigation of dynamic variations in neprilysin (NEP and NEP2) proteins for extracting the point of specificity.

Zaheer Ul-Haq, Saman Usmani, S. R. Zia, 2016, Molecular bioSystems.

Pharmacophore model-based virtual screening, docking, biological evaluation and molecular dynamics simulations for inhibitors discovery against α-tryptophan synthase from Mycobacterium tuberculosis

Y. Mabkhot, U. Farooq, S. Naz, 2020, Journal of biomolecular structure & dynamics.

Atom and receptor based 3D QSAR models for generating new conformations from pyrazolopyrimidine as IL-2 inducible tyrosine kinase inhibitors.

Sajda Ashraf, Zaheer Ul-Haq, Majdi M Bkhaitan, 2017, Journal of molecular graphics & modelling.

Molecular dynamics simulation of Axillaridine–A: A potent natural cholinesterase inhibitor

Zaheer Ul-Haq, S. T. Moin, M. Iqbal Choudhary, 2009, Journal of enzyme inhibition and medicinal chemistry.

In-silico designing and characterization of binding modes of two novel inhibitors for CB1 receptor against obesity by classical 3D-QSAR approach.

Zaheer Ul-Haq, Naveed Khan, Syed Kashif Zafar, 2019, Journal of molecular graphics & modelling.

Synthesis, biological evaluation, and molecular docking studies of benzyl, alkyl and glycosyl [2-(arylamino)-4,4-dimethyl-6-oxo-cyclohex-1-ene]carbodithioates, as potential immunomodulatory and immunosuppressive agents.

Zaheer Ul-Haq, A. Jabeen, S. A. Halim, 2012, Bioorganic & medicinal chemistry.

Computational and biological characterization of fusion proteins of two insecticidal proteins for control of insect pests

G. Jander, Zaheer Ul-Haq, I. Amin, 2018, Scientific Reports.

In Silico Identification and Evaluation of Leads for the Simultaneous Inhibition of Protease and Helicase Activities of HCV NS3/4A Protease Using Complex Based Pharmacophore Mapping and Virtual Screening

R. Uddin, Zaheer Ul-Haq, A. Wadood, 2014, PloS one.

Characterization of the multidrug efflux transporter styMdtM from Salmonella enterica serovar Typhi

T. Walz, O. Mirza, Zaheer Ul-Haq, 2021, Proteins.

Development of sulfonamide-based Schiff bases targeting urease inhibition: Synthesis, characterization, inhibitory activity assessment, molecular docking and ADME studies.

Zaheer Ul-Haq, Z. Shafiq, M. Khan, 2020, Bioorganic chemistry.

Combined Pharmacophore and 3D‐QSAR Study on A Series of Staphylococcus aureus Sortase A inhibitors

R. Uddin, Zaheer Ul-Haq, M. U. Lodhi, 2012, Chemical biology & drug design.

Crude to leads: a triple-pronged direct NMR approach in coordination with docking simulation.

A. Ferreira, J. Fernandes, Zaheer Ul-Haq, 2013, The Analyst.

Effects of long-term Ailanthus altissima extract supplementation on fear, cognition and brain antioxidant levels

W. Ashraf, Zaheer Ul-Haq, I. Imran, 2022, Saudi pharmaceutical journal : SPJ : the official publication of the Saudi Pharmaceutical Society.

LC-ESI-MS analysis, antioxidant, anti-diabetic and molecular docking studies on Corchorus depressus (L.) C.Chr

Zaheer Ul-Haq, S. Anjum, M. Ashraf, 2022, Natural product research.

Superoxide Scavenging and Antiglycation Activity of Rhinacanthins-rich Extract Obtained from the Leaves of Rhinacanthus nasutus

Zaheer Ul-Haq, P. Panichayupakaranant, Y. Mehmood, 2017, Pharmacognosy magazine.

Epigenetic modulation by targeting bromodomain containing protein 9 (BRD9): Its therapeutic potential and selective inhibition.

S. Knapp, Sajda Ashraf, Zaheer Ul-Haq, 2023, International journal of biological macromolecules.

Identification of Selective BRD9 Inhibitor via Integrated Computational Approach

Sajda Ashraf, Zaheer Ul-Haq, K. Khan, 2022, International journal of molecular sciences.

Characterization of the interactions between coumarin-derivatives and acetylcholinesterase: Examination by NMR and docking simulations

A. Ferreira, M. Mehmood, Zaheer Ul-Haq, 2018, Journal of Molecular Modeling.

Dynamic changes in the secondary structure of ECE-1 and XCE account for their different substrate specificities

Syed Tarique Moin, Zaheer-ul-Haq, Sadaf Iqbal, 2012, BMC Bioinformatics.

Natural coumarins from Murraya paniculata as mixed-type inhibitors of cholinesterases: In vitro and in silico investigations

Komal Zia, Zaheer Ul-Haq, A. Khalid, 2023, Frontiers in Pharmacology.

Synthetic flavonoids as potential antiviral agents against SARS-CoV-2 main protease

Komal Zia, Zaheer Ul-Haq, F. Batool, 2020, Journal of biomolecular structure & dynamics.

Investigating the self-assembling of nicotinic hydrazide-based amphiphile into nano-range vesicles and its amphotericin B loading applications

M. R. Shah, Zaheer Ul-Haq, Saeed Ahmad Khan, 2023, Drug delivery.

Enamine Barbiturates and Thiobarbiturates as a New Class of Bacterial Urease Inhibitors

F. Albericio, B. G. de la Torre, Sajda Ashraf, 2020 .

Exploiting Dengue Virus Protease as a Therapeutic Target; Current Status, Challenges and Future Avenues.

K. Parang, Zaheer Ul-Haq, M. Mushtaq, 2021, Current medicinal chemistry.

PEGylated Graphene Oxide as a Nanodrug Delivery Vehicle for Podophyllotoxin (GO/PEG/PTOX) and In Vitro α-Amylase/α-Glucosidase Inhibition Activities

Zaheer Ul-Haq, Shujaat Ahmad, N. Khan, 2023, ACS omega.

Effect of sodium deoxycholate sulfate on outer membrane permeability and neutralization of bacterial lipopolysaccharides by polymyxin B formulations.

Zaheer Ul-Haq, Sreenu Madhumanchi, R. Suedee, 2020, International journal of pharmaceutics.

In-vitro immunomodulatory and anti-cancerous activities of biotransformed products of Dianabol through Azadirachta indica and its molecular docking studies

Saifullah, Zaheer Ul-Haq, A. Jabeen, 2013, Chemistry Central Journal.

Molecular dynamics simulation of mammalian 15S-lipoxygenase with AMBER force field

R. Sattar, T. Hofer, Zaheer Ul-Haq, 2011, European Biophysics Journal.

Bioactivity, Safety, and Efficacy of Amphotericin B Nanomicellar Aerosols Using Sodium Deoxycholate Sulfate as the Lipid Carrier

Zaheer Ul-Haq, T. Srichana, Faisal Usman, 2018, AAPS PharmSciTech.

Regioselective syntheses of 2-oxopyridine carbonitrile derivatives and evaluation for antihyperglycemic and antioxidant potential.

N. Ullah, Zaheer Ul-Haq, F. Saleem, 2023, International Journal of Biological Macromolecules.

Synthesis of thiobarbituric acid derivatives: In vitro α-glucosidase inhibition and molecular docking studies.

Zaheer Ul-Haq, A. Barakat, S. Yousuf, 2017, Bioorganic chemistry.

A combined 3D-QSAR and molecular docking strategy to understand the binding mechanism of V600EB-RAF inhibitors

Zaheer Ul-Haq, Uzma Mahmood, Sauleha Reza, 2012, Molecular Diversity.

Rational Design, Synthesis, Separation, and Characterization of New Spiroxindoles Combined with Benzimidazole Scaffold as an MDM2 Inhibitor

A. Dömling, Zaheer Ul-Haq, A. Barakat, 2023, Separations.

2-Mercapto Benzothiazole Derivatives: As Potential Leads for the Diabetic Management.

Zaheer Ul-Haq, M. Choudhary, K. Khan, 2019, Medicinal chemistry (Shariqah (United Arab Emirates)).

Probing the mechanism of peptide binding to REV response element RNA of HIV-1; MD simulations and free energy calculations

Zaheer Ul-Haq, M. Nur-E-Alam, Sarfaraz Ahmed, 2020, Journal of biomolecular structure & dynamics.

Urease inhibitory activity on 1,2,3-triazoles-linked indomethacin derivatives; In vitro and in silico studies

Zaheer Ul-Haq, O. Ekundayo, K. Khan, 2023, Journal of Molecular Structure.

Structure-Based Virtual Screening to Identify Negative Allosteric Modulators of NMDA.

Zaheer Ul-Haq, M. Nur-E-Alam, Sarfaraz Ahmed, 2022, Medicinal chemistry (Shariqah (United Arab Emirates)).

Exploration of the structural requirements of Aurora Kinase B inhibitors by a combined QSAR, modelling and molecular simulation approach

Christopher J. Woods, K. Ranaghan, A. Mulholland, 2021, Scientific Reports.

Anti-urease and cytotoxic activity of 1-Nitro-2-phenylethane and Nerolidol; two major compounds isolated from the seeds of Dennettia tripetala

Zaheer Ul-Haq, M. Choudhary, Majid Khan, 2020, Medicinal Chemistry Research.

Relative assessment of different statistical instruments and measures for the prediction of promising outcomes using docking, virtual screening and ADMET analysis against HIV-RT

Zaheer Ul-Haq, H. Shamshad, S. A. Halim, 2021, Journal of biomolecular structure & dynamics.

Mechanistic insights into the inhibitory activity of FDA approved ivermectin against SARS-CoV-2: old drug with new implications

Sonia Mir, Zaheer Ul-Haq, M. Nur-E-Alam, 2021, Journal of biomolecular structure & dynamics.

Dynamic changes in the secondary structure of ECE-1 and XCE account for their different substrate specificities

Zaheer-ul-Haq, Zaheer Ul-Haq, S. T. Moin, 2012, BMC Bioinformatics.

Characterization of cryptic allosteric site at IL-4Rα: New paradigm towards IL-4/IL-4R inhibition.

Zaheer Ul-Haq, Nida Baig, Sehrish Naz, 2019, International journal of biological macromolecules.

Design of New and Potent Diethyl Thiobarbiturates as Urease Inhibitors: A Computational Approach

Zaheer Ul-Haq, Muhammad Qasim, A. Wadood, 2014, Bioinformation.

Highlights in TMPRSS2 inhibition mechanism with guanidine derivatives approved drugs for COVID-19 treatment

Zaheer Ul-Haq, A. Selmi, W. Tachoua, 2023, Journal of biomolecular structure & dynamics.

Theoretical investigation of selective ligand binding mode of galanin receptors

S. Khan, Komal Zia, Sajda Ashraf, 2021, Journal of biomolecular structure & dynamics.

Isolation of flavonoides from Artemisia macrocephala anticholinesterase activity: Isolation, characterization and its in vitro anticholinesterse activity supported by molecular docking.

Zaheer Ul-Haq, N. Ali, M. Shoaib, 2018, Pakistan journal of pharmaceutical sciences.

Synthesis of Highly Potent Anti-Inflammatory Compounds (ROS Inhibitors) from Isonicotinic Acid

Farooq A. Khan, H. El‐Seedi, Zaheer Ul-Haq, 2021, Molecules.

Identification of potent anti-immunogenic agents through virtual screening, 3D-QSAR studies, and in vitro experiments.

Zaheer Ul-Haq, A. Jabeen, M. Nur-E-Alam, 2023, Molecular diversity.

Protonation states at different pH, conformational changes and impact of glycosylation in synapsin Ia.

Sonia Mir, Sajda Ashraf, Zaheer Ul-Haq, 2021, Physical chemistry chemical physics : PCCP.

A Novel Pharmacophore Model to Identify Leads for Simultaneous Inhibition of Anti‐coagulation and Anti‐inflammatory Activities of Snake Venom Phospholipase A2

R. Sattar, Zaheer Ul-Haq, M. Lodhi, 2012, Chemical biology & drug design.

Synthesis, antioxidant activities and urease inhibition of some new 1,2,4-triazole and 1,3,4-thiadiazole derivatives.

R. Uddin, Zaheer Ul-Haq, Ajmal Khan, 2010, European journal of medicinal chemistry.

Identification of novel small molecule inhibitors for solute carrier SGLT1; a computational exploration.

Zaheer Ul-Haq, M. Mushtaq, Sajjad Haider, 2023, Journal of biomolecular structure & dynamics.

Computational Overview of Mycobacterial Thymidine Monophosphate Kinase.

Mohammad S. Mubarak, Zaheer Ul-Haq, Ruqaiya Khalil, 2020, Current pharmaceutical design.

Sensing of H2S, NO2, SO2 and O3 through pristine and Ni-doped Zn12O12 nanocage

Zaheer Ul-Haq, Sajida Munsif, Aftab Ahmad, 2023, Computational and Theoretical Chemistry.

Unraveling the versatility of human serum albumin – A comprehensive review of its biological significance and therapeutic potential

Sajda Ashraf, Zaheer Ul-Haq, H. Makeen, 2023, Current research in structural biology.

3D-QSAR Studies on Barbituric Acid Derivatives as Urease Inhibitors and the Effect of Charges on the Quality of a Model

Sajda Ashraf, Zaheer Ul-Haq, A. Barakat, 2016, International journal of molecular sciences.

Gd-Complexes of New Arylpiperazinyl Conjugates of DTPA-Bis(amides): Synthesis, Characterization and Magnetic Relaxation Properties

N. Ullah, Zaheer Ul-Haq, M. N. Shaikh, 2015, Molecules.

Structural Basis of Binding and Rationale for the Potent Urease Inhibitory Activity of Biscoumarins

Zaheer Ul-Haq, M. Lodhi, M. Choudhary, 2014, BioMed research international.

Binding site identification and role of permanent water molecule of PIM-3 kinase: A molecular dynamics study.

Zaheer Ul-Haq, Saman Usmani, A. Wadood, 2015, Journal of Molecular Graphics and Modelling.

Synthesis, and In Vitro and In Silico α-Glucosidase Inhibitory Studies of 5-Chloro-2-Aryl Benzo[d]thiazoles.

Zaheer Ul-Haq, S. Perveen, Arshia, 2018, Bioorganic chemistry.

Atom and receptor based 3D QSAR models for generating new conformations from pyrazolopyrimidine as IL-2 inducible tyrosine kinase inhibitors.

Sajda Ashraf, Zaheer Ul-Haq, Majdi M Bkhaitan, 2017, Journal of molecular graphics & modelling.

Mutant anaplastic lymphoma kinase inhibitor identification by integrated in silico approaches

Zaheer Ul-Haq, M. Mushtaq, Sajida Munsif, 2024, Molecular Simulation.

Identification of IL-2 inducible tyrosine kinase inhibitors by quantum mechanics and ligand based virtual screening approaches

S. Khan, Komal Zia, Zaheer Ul-Haq, 2023, Journal of biomolecular structure & dynamics.

Multicomponent diastereoselective synthesis of tetrahydropyridines as α-amylase and α-glucosidase enzymes inhibitors.

Sajda Ashraf, Zaheer Ul-Haq, F. Saleem, 2023, Future medicinal chemistry.