I. Ahmad

发表

BREED based de novo hybridization approach: generating novel T790M/C797S-EGFR tyrosine kinase inhibitors to overcome the problem of mutation and resistance in non small cell lung cancer (NSCLC)

H. Patel, S. Surana, Matin Shaikh, 2020, Journal of biomolecular structure & dynamics.

Rheological Behaviour of Three Varieties of Indian Mango-Langra, Chausa and Dashehari by Using Power Law Model

T. Alam, R. Anurag, I. Ahmad, 2016 .

Synthesis, Molecular Modelling Study of the Methaqualone Analogues as Anti-Convulsant Agent with Improved Cognition Activity and Minimized Neurotoxicity

S. Manjula, H. Patel, R. Pawara, 2021, Journal of Molecular Structure.

Synthesis, Molecular Modeling Study, and Quantum-Chemical-Based Investigations of Isoindoline-1,3-diones as Antimycobacterial Agents

H. Patel, S. Surana, R. Pawara, 2022, ACS omega.

Extensively Drug-resistant Tuberculosis (XDR-TB)-inhibitors to Overcome the Scourge of Drug-resistant Tuberculosis: a Perspective

H. Patel, S. Surana, R. Pawara, 2020, Reviews and Advances in Chemistry.

Development of bromo- and fluoro-based α, β-unsaturated ketones as highly potent MAO-B inhibitors for the treatment of Parkinson's disease

S. Sushanth Kumar, M. Abdelgawad, A. Musa, 2022, Journal of Molecular Structure.

In silico search of triple mutant T790M/C797S allosteric inhibitors to conquer acquired resistance problem in non-small cell lung cancer (NSCLC): a combined approach of structure-based virtual screening and molecular dynamics simulation

H. Patel, S. Surana, R. Pawara, 2020, Journal of biomolecular structure & dynamics.

Optimizing the Sunitinib for cardio-toxicity and thyro-toxicity by scaffold hopping approach

H. Patel, I. Ahmad, Deepali A. Bansode, 2022, In Silico Pharmacology.

p38α MAP kinase inhibitors to overcome EGFR tertiary C797S point mutation associated with osimertinib in non-small cell lung cancer (NSCLC): emergence of fourth-generation EGFR inhibitor

Arabinda Ghosh, H. Patel, S. Surana, 2020, Journal of biomolecular structure & dynamics.

New Hope for Genome Editing in Cultivated Grasses: CRISPR Variants and Application

H. Brinch-Pedersen, Shakeel Ahmad, F. Dai, 2022, Frontiers in genetics.

Computational investigation of phytochemicals from Withania somnifera (Indian ginseng/ashwagandha) as plausible inhibitors of GluN2B-containing NMDA receptors

H. Patel, Dileep Kumar, I. Ahmad, 2021, Journal of biomolecular structure & dynamics.

In vitro and computational investigations of novel synthetic carboxamide-linked pyridopyrrolopyrimidines with potent activity as SARS-CoV-2-MPro inhibitors

Saleh K. Ihmaid, Hany E. A. Ahmed, H. Patel, 2022, RSC advances.

A Comprehensive Study to Unleash the Putative Inhibitors of Serotype2 of Dengue Virus: Insights from an In Silico Structure-Based Drug Discovery

Md. Sakib Hossen, Md. Salman Shakil, H. Patel, 2022, Molecular biotechnology.

Phytochemicals from Amberboa ramosa as potential DPP-IV inhibitors for the management of Type-II Diabetes Mellitus: Inferences from In-silico Investigations

K. Raza, H. Patel, R. K. Paul, 2022, Journal of Molecular Structure.

In silico investigations identified Butyl Xanalterate to competently target CK2α (CSNK2A1) for therapy of chronic lymphocytic leukemia

B. Alshehri, S. Mir, F. Alhumaydhi, 2022, Scientific Reports.

Structural modelling and in silico pharmacology of β-carboline alkaloids as potent 5-HT1A receptor antagonists and reuptake inhibitors

M. Mordi, H. Patel, I. Ahmad, 2022, Journal of biomolecular structure & dynamics.

Potent Bioactive Compounds From Seaweed Waste to Combat Cancer Through Bioinformatics Investigation

Kaushik Kumar Bharadwaj, Arabinda Ghosh, H. Patel, 2022, Frontiers in Nutrition.

Evaluation of oxindole derivatives as a potential anticancer agent against breast carcinoma cells: In vitro, in silico, and molecular docking study.

H. Patel, K. Juvale, I. Ahmad, 2022, Toxicology in vitro : an international journal published in association with BIBRA.

Phytochemical Analysis, Antioxidant, and Antimicrobial Activities of Ducrosia flabellifolia: A Combined Experimental and Computational Approaches

M. Snoussi, E. Noumi, Cengiz Sarikurkcu, 2022, Antioxidants.

Design, synthesis and molecular docking and ADME studies of novel hydrazone derivatives for AChE inhibitory, BBB permeability and antioxidant effects

H. Patel, Serkan Levent, I. Ahmad, 2022, Journal of biomolecular structure & dynamics.

Lapachol and (α/β)-lapachone as inhibitors of SARS-CoV-2 Main Protease (Mpro) and hACE-2: ADME properties, docking and dynamic simulation approaches

M. Snoussi, E. Noumi, H. Patel, 2022, Pharmacognosy Magazine.

Optimization of enzymic extraction process for higher yield and clarity of guava juice.

R. Anurag, I. Ahmad, Y. Jha, 2009 .

Design, synthesis, in vitro anticancer and antimicrobial evaluation, SAR analysis, molecular docking and dynamic simulation of new pyrazoles, triazoles and pyridazines based isoxazole

M. Snoussi, H. Patel, I. Ahmad, 2022, Journal of Molecular Structure.

An in silico-in vitro antimalarial and antimicrobial investigation of newer 7- Chloroquinoline based Schiff-bases

H. Patel, I. Ahmad, N. Patel, 2022, Journal of Molecular Structure.

Design, synthesis, molecular docking and molecular dynamics studies of novel triazolothiadiazine derivatives containing furan or thiophene rings as anticancer agents.

H. Patel, M. Baysal, I. Ahmad, 2022, Bioorganic chemistry.

Synthesis, characterization, molecular dynamic simulation, and biological assessment of cinnamates linked to imidazole/benzimidazole as a CYP51 inhibitor.

H. Patel, P. Kumari, I. Ahmad, 2023, Journal of biomolecular structure & dynamics.

Modeling the anti-Methicillin-Resistant Staphylococcus aureus (MRSA) Activity of (E)-6-chloro-N2-phenyl-N4-(4-Phenyl-5-(Phenyl Diazinyl)-2λ3, 3 λ2- Thiazol-2-yl)-1, 3, 5-Triazine-2,4- Diamine

E. Ejiofor, H. Patel, I. Ahmad, 2022, Polycyclic Aromatic Compounds.

Anti-inflammatory biomolecular activity of chlorinated-phenyldiazenyl-naphthalene-2-sulfonic acid derivatives: perception from DFT, molecular docking, and molecular dynamic simulation

E. Ejiofor, E. Ahuekwe, H. Patel, 2022, Journal of biomolecular structure & dynamics.

Introduction of benzyloxy pharmacophore into aryl/heteroaryl chalcone motifs as a new class of monoamine oxidase B inhibitors

S. Sushanth Kumar, M. Abdelgawad, H. Patel, 2022, Scientific Reports.

Synthesis, docking, and biological investigations of new coumarin-piperazine hybrids as potential antibacterial and anticancer agents

H. Patel, P. Kumari, I. Ahmad, 2022, Journal of Molecular Structure.

Molecular modeling and DFT Studies of Diazenylphenyl derivatives as a Potential HBV and HCV Antiviral Agents

H. Patel, I. Ahmad, T. Gber, 2022, Chemical Physics Impact.

Design, synthesis, biological evaluation and in silico studies of novel 1,2,3-triazole linked benzoxazine-2,4-dione conjugates as potent antimicrobial, antioxidant and anti-inflammatory agents

M. Snoussi, E. Noumi, H. Patel, 2022, Arabian Journal of Chemistry.

“Pyrazolo-Imidazolidinones: Synthesis, Antimicrobial Assessment and Molecular Modelling Studies by Molecular Mechanic and Quantum Mechanic Approach”

H. Patel, S. Joshi, Medha Pandya, 2022, Journal of Molecular Structure.

Molecular modelling and structure-activity relationship of a natural derivative of o-hydroxybenzoate as a potent inhibitor of dual NSP3 and NSP12 of SARS-CoV-2: in silico study

M. Mordi, H. Patel, I. Ahmad, 2022, Journal of biomolecular structure & dynamics.

Design, synthesis, molecular modeling, DFT, ADME and biological evaluation studies of some new 1,3,4-oxadiazole linked benzimidazoles as anticancer agents and aromatase inhibitors

H. Patel, I. Ahmad, Z. Kaplancıklı, 2021, Journal of biomolecular structure & dynamics.

Design and Synthesis of the Novel, Selective WZ4002 analogue as EGFR-L858R/T790M Tyrosine Kinase Inhibitors for Targeted Drug Therapy in Non-Small-Cell Lung Cancer (NSCLC)

C. Kundu, H. Patel, S. Surana, 2021, Journal of Molecular Structure.

In silico validation of anti-viral drugs obtained from marine sources as a potential target against SARS-CoV-2 Mpro

H. Patel, Srijita Das, I. Ahmad, 2021, Journal of the Indian Chemical Society.

Computational identification of 2,4-disubstituted amino-pyrimidines as L858R/T790M-EGFR double mutant inhibitors using pharmacophore mapping, molecular docking, binding free energy calculation, DFT study and molecular dynamic simulation

H. Patel, R. Pawara, I. Ahmad, 2021, In Silico Pharmacology.

Tomatidine and Patchouli Alcohol as Inhibitors of SARS-CoV-2 Enzymes (3CLpro, PLpro and NSP15) by Molecular Docking and Molecular Dynamics Simulations

M. Iriti, M. Snoussi, E. Noumi, 2021, International journal of molecular sciences.

Mining of a novel esterase (est3S) gene from a cow rumen metagenomic library with organosphosphorus insecticides degrading capability: Catalytic insights by site directed mutations, docking, and molecular dynamic simulations.

M. Haque, H. Lee, K. Cho, 2021, International journal of biological macromolecules.

Optimizing Bedaquiline for cardiotoxicity by structure based virtual screening, DFT analysis and molecular dynamic simulation studies to identify selective MDR-TB inhibitors

H. Patel, I. Ahmad, Harsha Jadhav, 2021, In silico pharmacology.

Investigating the Impact of Different Acrylamide (Electrophilic Warhead) on Osimertinib's Pharmacological Spectrum by Molecular Mechanic and Quantum Mechanic Approach.

H. Patel, S. Surana, R. Pawara, 2020, Combinatorial chemistry & high throughput screening.

Synthesis, molecular docking, DFT study, and in vitro antimicrobial activity of some 4‐(biphenyl‐4‐yl)‐1,4‐dihydropyridine and 4‐(biphenyl‐4‐yl)pyridine derivatives

H. Patel, I. Ahmad, N. Desai, 2021, Journal of biochemical and molecular toxicology.

Recent updates in natural terpenoids as potential anti-mycobacterial agents.

H. Patel, I. Ahmad, Vilasrao Jagatap, 2021, Indian Journal of Tuberculosis.

Thymus musilii Velen. Methanolic Extract: In Vitro and In Silico Screening of Its Antimicrobial, Antioxidant, Anti-Quorum Sensing, Antibiofilm, and Anticancer Activities

M. Snoussi, E. Noumi, H. Patel, 2022, Life.

Synthesizes, Characterization, Molecular docking and in vitro Bioactivity study of new compounds containing Triple Beta Lactam Rings

H. Patel, I. Ahmad, M. Farhan, 2022, Journal of Molecular Structure.

H. Patel, R. Pawara, I. Ahmad, 2021, In Silico Pharmacology.

In silico toxicity investigation of Methaqualone’s conjunctival, retinal, and gastrointestinal hemorrhage by molecular modelling approach

H. Patel, R. Pawara, I. Ahmad, 2022, Molecular Simulation.

Antihypertensive activity of roasted cashew nut in mixed petroleum fractions-induced hypertension: An in vivo and in silico approaches

H. Patel, J. Akintunde, I. Ahmad, 2022, Heliyon.

The Repurposed ACE2 Inhibitors: SARS-CoV-2 Entry Blockers of Covid-19

H. Patel, S. Surana, R. Pawara, 2021, Topics in Current Chemistry.

Design and synthesis of some novel hybrid molecules based on 4-thiazolidinone bearing pyridine-pyrazole scaffolds: molecular docking and molecular dynamics simulations of its major constituent onto DNA gyrase inhibition.

H. Patel, I. Ahmad, N. Desai, 2023, Molecular diversity.

Optimizing cardio, hepato and phospholipidosis toxicity of the Bedaquiline by chemoinformatics and molecular modelling approach

R. Pawara, I. Ahmad, H. Patel, 2022, SAR and QSAR in environmental research.

Structural exploration of selected C6 and C7-substituted coumarin isomers as selective MAO-B inhibitors

M. Britel, H. Patel, Niloy Das, 2022, Journal of biomolecular structure & dynamics.

Development of Isopropyl-Tailed Chalcones as a New Class of Selective MAO-B Inhibitors for the Treatment of Parkinson’s Disorder

Ashutosh Kumar Singh, S. Sushanth Kumar, M. Abdelgawad, 2023, ACS omega.

Multifunctional Derivatives of Spiropyrrolidine Tethered Indeno-Quinoxaline Heterocyclic Hybrids as Potent Antimicrobial, Antioxidant and Antidiabetic Agents: Design, Synthesis, In Vitro and In Silico Approaches

M. Snoussi, E. Noumi, H. Patel, 2022, Molecules.

In silico investigation and potential therapeutic approaches of isoquinoline alkaloids for neurodegenerative diseases: computer-aided drug design perspective.

H. Patel, I. Ahmad, H. Mohamed, 2023, Journal of biomolecular structure & dynamics.

Profiling the structural determinants of pyrrolidine derivative as gelatinases (MMP-2 and MMP-9) inhibitors using in silico approaches

M. Bouachrine, T. Lakhlifi, H. Maghat, 2023, Comput. Biol. Chem..

Molecular modeling and biological investigation of novel s-triazine linked benzothiazole and coumarin hybrids as antimicrobial and antimycobacterial agents.

H. Patel, P. Kumari, I. Ahmad, 2023, Journal of biomolecular structure & dynamics.

Molecular dynamics simulation and pharmacokinetics studies of ombuin and quercetin against human pancreatic α-amylase.

H. Patel, I. Ahmad, Opeyemi Iwaloye, 2022, Journal of biomolecular structure & dynamics.

Two dimensional-QSAR and molecular dynamics studies of a selected class of aldoxime- and hydroxy-functionalized chalcones as monoamine oxidase-B inhibitors.

M. Abdelgawad, Hoon Kim, H. Patel, 2022, Journal of biomolecular structure & dynamics.

In-Silico Study of Some Dexamethasone Analogs and Derivatives against SARs-CoV-2 Target: A Cost-Effective Alternative to Remdesivir for Various COVID Phases

D. Mahapatra, H. Patel, R. Pandey, 2022, Current Chinese Science.

Antibacterial Potential of Trihydroxycyclohexa-2,4-Diene-1-Carboxylic Acid: Insight from DFT, Molecular Docking, and Molecular Dynamic Simulation

E. Ahuekwe, H. Patel, W. Emori, 2023, Polycyclic Aromatic Compounds.

“ Zeolite ( Y‐H ) based green synthesis, antimicrobial activity, and molecular docking studies of imidazole bearing oxydibenzene hybrid molecules”

H. Patel, I. Ahmad, N. Desai, 2021, Journal of Heterocyclic Chemistry.

Emerging Approaches to Overcome Acquired Drug Resistance Obstacles to Osimertinib in Non-Small-Cell Lung Cancer.

M. Noolvi, H. Patel, S. Surana, 2021, Journal of medicinal chemistry.

Design, Synthesis and Biological Evaluation of Syn and Anti-like Double Warhead Quinolinones Bearing Dihydroxy Naphthalene Moiety as Epidermal Growth Factor Receptor Inhibitors with Potential Apoptotic Antiproliferative Action

S. Bräse, H. Patel, E. El-Sheref, 2022, Molecules.

Novel, selective acrylamide linked quinazolines for the treatment of double mutant EGFR-L858R/T790M Non-Small-Cell lung cancer (NSCLC).

H. Patel, S. Surana, R. Pawara, 2021, Bioorganic chemistry.

GC/MS Profiling, Antibacterial, Anti-Quorum Sensing, and Antibiofilm Properties of Anethum graveolens L. Essential Oil: Molecular Docking Study and In-Silico ADME Profiling

M. Snoussi, E. Noumi, H. Patel, 2023, Plants.

Optimizing the Sunitinib for cardio-toxicity and thyro-toxicity by scaffold hopping approach

H. Patel, I. Ahmad, B. Chaudhari, 2022, In Silico Pharmacology.

Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approach

H. Patel, I. Ahmad, P. Mhaske, 2023, Journal of biomolecular structure & dynamics.

Halogenated class of oximes as a new class of monoamine oxidase-B inhibitors for the treatment of Parkinson's disease: Synthesis, biochemistry, and molecular dynamics study

S. Sushanth Kumar, M. Abdelgawad, A. Musa, 2023, Comput. Biol. Chem..

Bioisosteric modification of Linezolid identified the potential M. tuberculosis protein synthesis inhibitors to overcome the myelosuppression and serotonergic toxicity associated with Linezolid in the treatment of the multi-drug resistance tuberculosis (MDR-TB).

H. Patel, I. Ahmad, Rukaiyya Girase, 2023, Journal of biomolecular structure & dynamics.

A Series of Dipeptide Derivatives Containing (S)‐5‐Oxo‐pyrrolidine‐2‐carboxilic Acid Conjugates: Design, Solid‐Phase Peptide Synthesis, in vitro Biological Evolution, and Molecular Docking Studies

H. Patel, I. Ahmad, Manoj Gayke, 2022, ChemistrySelect.

Bioconjugates: A New Class of Therapeutics for Cancer Treatment

I. Ahmad, M. Boulhaoua, M. Al-Majidi, 2023, JOURNAL OF UNIVERSITY OF BABYLON for Pure and Applied Sciences.

GC-MS screening of the phytochemical composition of Ziziphus honey: ADME properties and in vitro/in silico study of its antimicrobial activity.

M. Snoussi, E. Noumi, H. Patel, 2023, Journal of biomolecular structure & dynamics.

Structure-based drug design, molecular dynamics simulation, ADMET, and quantum chemical studies of some thiazolinones targeting influenza neuraminidase.

H. Patel, A. Uzairu, P. Mamza, 2023, Journal of biomolecular structure & dynamics.

Phytochemical Investigation, In silico/In vivo Analgesic, and Anti-inflammatory Assessment of the Egyptian Cassia occidentalis L.

H. Salem, H. Patel, M. Ramadan, 2023, Steroids.

Isoflavonoid and Furanochromone Natural Products as Potential DNA Gyrase Inhibitors: Computational, Spectral, and Antimycobacterial Studies

D. Sriram, H. Patel, M. Ghai, 2023, ACS omega.

Dalbergia sissoo phytochemicals as EGFR inhibitors: an in vitro and in silico approach.

A. Meena, H. Patel, I. Ahmad, 2023, Journal of biomolecular structure & dynamics.

Flavonostilbenes natural hybrids from Rhamnoneuron balansae as potential antitumors targeting ALDH1A1: molecular docking, ADMET, MM-GBSA calculations and molecular dynamics studies.

H. Patel, M. A. Mohamed, Malik Suliman Mohamed, 2023, Journal of biomolecular structure & dynamics.

In silico analysis to identify potential antitubercular molecules in Morus alba through virtual screening and molecular dynamics simulations.

S. Haque, H. Patel, M. Khan, 2023, Journal of biomolecular structure & dynamics.

New tetrahydroisoquinoline-4-carbonitrile derivatives as potent agents against cyclin-dependent kinases, crystal structures, and computational studies

J. Mague, Chin‐Hung Lai, I. Ahmad, 2023, Journal of Biomolecular Structure and Dynamics.

Carbazole derivatives as promising competitive and allosteric inhibitors of human serotonin transporter: computational pharmacology.

M. Mordi, H. Patel, I. Ahmad, 2023, Journal of biomolecular structure & dynamics.

Synthesis, Biological Evaluation, and Molecular Modeling Studies of New 1,3,4‐Thiadiazole Derivatives as Potent Antimicrobial Agents

H. Patel, I. Ahmad, Y. Özkay, 2023, Chemistry & biodiversity.

Insights into in-vitro studies and molecular modelling of the antimicrobial efficiency of 4-chlorobenzaldehyde and 4-methoxybenzaldehyde derivatives.

H. Patel, I. Ahmad, I. Benjamin, 2023, Journal of Biomolecular Structure and Dynamics.

Unveiling chlorpyrifos mineralizing and tomato plant-growth activities of Enterobacter sp. strain HSTU-ASh6 using biochemical tests, field experiments, genomics, and in silico analyses

M. Haque, K. Cho, H. Patel, 2022, Frontiers in Microbiology.

A structural approach to investigate halogen substituted MAO-B inhibitors using QSAR modeling, molecular dynamics, and conceptual DFT analysis

S. Sushanth Kumar, H. Patel, B. Mathew, 2023, Journal of Saudi Chemical Society.

A review on computational studies and bioinformatics analysis of potential drugs against monkeypox virus.

H. Patel, Md. Nazmul Islam Bappy, F. Hossain, 2023, Journal of biomolecular structure & dynamics.

A novel series of dipeptide derivatives containing indole-3-carboxylic acid conjugates as potential antimicrobial agents: the design, solid phase peptide synthesis, in vitro biological evaluation, and molecular docking study

Amol S. Kotmale, H. Patel, I. Ahmad, 2023, RSC advances.

Design and synthesis of novel 1,2,3-triazole linked hybrids: Molecular docking, MD simulation, and their antidiabetic efficacy as α-Amylase inhibitors

H. Patel, P. Kumari, I. Ahmad, 2023, Journal of Molecular Structure.

A reverse docking approach to explore the anticancer potency of natural compounds by interfering metastasis and angiogenesis.

H. Patel, Md. Nazmul Islam Bappy, Nadim Ahmed, 2023, Journal of biomolecular structure & dynamics.

Design, synthesis, molecular docking, molecular dynamic simulation, and MMGBSA analysis of 7-O-substituted 5-hydroxy flavone derivatives.

H. Patel, P. Kumari, I. Ahmad, 2023, Journal of Biomolecular Structure and Dynamics.

Insight into crystal structures and identification of potential styrylthieno[2,3-b]pyridine-2-carboxamidederivatives against COVID-19 Mpro through structure-guided modeling and simulation approach.

J. Mague, A. Nafady, I. Ahmad, 2023, Journal of biomolecular structure & dynamics.