A. A. Al-karmalawy

发表

Design, synthesis, molecular docking, and anticancer activity of benzoxazole derivatives as VEGFR‐2 inhibitors

I. Eissa, Khaled El-Adl, Abdel-Ghany A. El-Helby, 2019, Archiv der Pharmazie.

Tanshinone IIA synergistically enhances the antitumor activity of doxorubicin by interfering with the PI3K/AKT/mTOR pathway and inhibition of topoisomerase II: in vitro and molecular docking studies

M. Elshal, A. A. Al-karmalawy, A. I. Maksoud, 2020 .

Nanobiotechnological Approaches to Enhance Potato Resistance against Potato Leafroll Virus (PLRV) Using Glycyrrhizic Acid Ammonium Salt and Salicylic Acid Nanoparticles

Mousa O. Germoush, Nabil S. Awad, A. A. Al-karmalawy, 2021, Horticulturae.

Design and synthesis of novel benzoazoninone derivatives as potential CBSIs and apoptotic inducers: In Vitro, in Vivo, molecular docking, molecular dynamics, and SAR studies.

Wagdy M. Eldehna, Mohamed S. Nafie, A. Belal, 2022, Bioorganic chemistry.

Design, Synthesis, Biological Evaluation, 2D-QSAR Modeling, and Molecular Docking Studies of Novel 1H-3-Indolyl Derivatives as Significant Antioxidants

A. A. Al-karmalawy, A. F. El-Farargy, M. Abdellattif, 2021, International journal of molecular sciences.

Rumex Vesicarius L. extract improves the efficacy of doxorubicin in triple-negative breast cancer through inhibiting Bcl2, mTOR, JNK1 and augmenting p21 expression

R. Saleh, H. Emara, S. Hanafy, 2022, Informatics in Medicine Unlocked.

Proteome Based Approach Defines Candidates for Designing a Multitope Vaccine against the Nipah Virus

M. Soltan, Nermin Raafat, Eman Fayad, 2021, International journal of molecular sciences.

Isolation of cytotoxic active compounds from Reichardia tingitana with investigation of apoptosis mechanistic induction: In silico, in vitro, and SAR studies

A. Khodir, A. Zaki, A. Ashour, 2022, South African Journal of Botany.

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.

Robust antiviral activity of commonly prescribed antidepressants against emerging coronaviruses: in vitro and in silico drug repurposing studies

M. Ali, G. Kayali, A. Kandeil, 2022, Scientific Reports.

Molecular docking and dynamics simulations reveal the potential of anti-HCV drugs to inhibit COVID-19 main protease

I. Eissa, A. Metwaly, A. A. Al-karmalawy, 2021, Pharmaceutical Sciences.

Insight into Genetic Characteristics of Identified SARS-CoV-2 Variants in Egypt from March 2020 to May 2021

M. Ali, G. Kayali, A. Kandeil, 2022, Pathogens.

Investigating the possible mechanisms of pirfenidone to be targeted as a promising anti-inflammatory, anti-fibrotic, anti-oxidant, anti-apoptotic, anti-tumor, and/or anti-SARS-CoV-2

S. Antar, A. A. Al-karmalawy, Mohamed A. Saleh, 2022, Life Sciences.

Ligand-based design, synthesis, computational insights, and in vitro studies of novel N-(5-Nitrothiazol-2-yl)-carboxamido derivatives as potent inhibitors of SARS-CoV-2 main protease

Mohamed Elagawany, Ayman Abo Elmaaty, E. Santali, 2022, Journal of enzyme inhibition and medicinal chemistry.

Pharmacophore-linked pyrazolo[3,4-d]pyrimidines as EGFR-TK inhibitors: Synthesis, anticancer evaluation, pharmacokinetics, and in silico mechanistic studies.

Farag F. Sherbiny, Rogy R Ezz Eldin, Marwa A Saleh, 2021, Archiv der Pharmazie.

A novel role of Nano selenium and sildenafil on streptozotocin-induced diabetic nephropathy in rats by modulation of inflammatory, oxidative, and apoptotic pathways.

S. Antar, A. A. Al-karmalawy, M. El-Azab, 2022, Life sciences.

Discovery of new 1H-pyrazolo[3,4-d]pyrimidine derivatives as anticancer agents targeting EGFRWT and EGFRT790M

Ibrahim M. Ibrahim, M. Radwan, I. Eissa, 2022, Journal of enzyme inhibition and medicinal chemistry.

Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies

Wagdy M. Eldehna, A. El-Taweel, Omnia Kutkat, 2022, International journal of molecular sciences.

Design, synthesis and molecular docking of new fused 1H-pyrroles, pyrrolo[3,2-d]pyrimidines and pyrrolo[3,2-e][1, 4]diazepine derivatives as potent EGFR/CDK2 inhibitors

Nagwa M. Abdel Gawad, A. Belal, Ahmed B. M. Mehany, 2022, Journal of enzyme inhibition and medicinal chemistry.

SARS-CoV-2 Genetic Diversity and Lineage Dynamics in Egypt during the First 18 Months of the Pandemic

T. de Oliveira, M. Ali, M. Hassany, 2022, Viruses.

Discovery of Some Heterocyclic Molecules as Bone Morphogenetic Protein 2 (BMP-2)-Inducible Kinase Inhibitors: Virtual Screening, ADME Properties, and Molecular Docking Simulations

M. Ghoneim, A. Belal, Ahmed B. M. Mehany, 2022, Molecules.

Effect of Vitamin D supplementation in patients with liver cirrhosis having spontaneous bacterial peritonitis: a randomized controlled study

Y. Hassan, A. A. Mohamed, A. A. El-Kholy, 2021 .

Strong Inhibitory Activity and Action Modes of Synthetic Maslinic Acid Derivative on Highly Pathogenic Coronaviruses: COVID-19 Drug Candidate

Mahmoud M. Shehata, M. Ali, J. Gharbi, 2021, Pathogens.

Design and discovery of new 1,2,4‐triazolo[4,3‐c]quinazolines as potential DNA intercalators and topoisomerase II inhibitors

I. Eissa, M. S. Taghour, Mohamed S Alesawy, 2020, Archiv der Pharmazie.

Design, Synthesis, Biological Evaluation, and Molecular Dynamics Studies of Novel Lapatinib Derivatives

Mahmoud H. El-Maghrabey, S. Son, M. El-Maghrabey, 2022, Pharmaceuticals.

Anticholinesterase Activity of Budmunchiamine Alkaloids Revealed by Comparative Chemical Profiling of Two Albizia spp., Molecular Docking and Dynamic Studies

Abdulrahman A. Almehizia, A. Belal, M. Abdel-Aziz, 2022, Plants.

Topo II inhibition and DNA intercalation by new phthalazine-based derivatives as potent anticancer agents: design, synthesis, anti-proliferative, docking, and in vivo studies

Mohamed S. Nafie, M. M. Khalifa, I. Eissa, 2021, Journal of enzyme inhibition and medicinal chemistry.

Design, synthesis, and SAR studies of novel 4-methoxyphenyl pyrazole and pyrimidine derivatives as potential dual tyrosine kinase inhibitors targeting both EGFR and VEGFR-2.

Mohamed S Alesawy, A. Hassan, A. A. Al-karmalawy, 2022, Bioorganic chemistry.

Ligand-Based Design on the Dog-Bone-Shaped BIBR1532 Pharmacophoric Features and Synthesis of Novel Analogues as Promising Telomerase Inhibitors with In Vitro and In Vivo Evaluations.

S. Antar, Mohamed S. Nafie, Ayman Abo Elmaaty, 2022, Journal of medicinal chemistry.

Ligand-based design and synthesis of N'-Benzylidene-3,4-dimethoxybenzohydrazide derivatives as potential antimicrobial agents; evaluation by in vitro, in vivo, and in silico approaches with SAR studies

Ahmed A. Al-karmalawy, Rogy R Ezz Eldin, Marwa A Saleh, 2022, Journal of enzyme inhibition and medicinal chemistry.

Development of novel isatin thiazolyl-pyrazoline hybrids as promising antimicrobials in MDR pathogens

H. Abdel‐Aziz, T. Al-Warhi, Wagdy M. Eldehna, 2022, RSC advances.

Benzoxazole/benzothiazole‐derived VEGFR‐2 inhibitors: Design, synthesis, molecular docking, and anticancer evaluations

I. Eissa, Khaled El-Adl, Abdel-Ghany A. El-Helby, 2019, Archiv der Pharmazie.

Design, synthesis, molecular docking and anticonvulsant evaluation of novel 6-iodo-2-phenyl-3-substituted-quinazolin-4(3H)-ones

M. Ibrahim, Khaled El-Adl, A. A. Al-karmalawy, 2015 .

Multistep synthesis and screening of heterocyclic tetrads containing furan, pyrazoline, thiazole and triazole (or oxadiazole) as antimicrobial and anticancer agents

S. Chinnam, G. V. Suresh Kumar, D. K. Sigalapalli, 2022, Journal of Saudi Chemical Society.

Investigating the structure–activity relationship of marine natural polyketides as promising SARS-CoV-2 main protease inhibitors

Khaled M. Darwish, Sameh S. Elhady, A. A. Al-karmalawy, 2021, RSC advances.

In Silico and In Vitro Studies for Benzimidazole Anthelmintics Repurposing as VEGFR-2 Antagonists: Novel Mebendazole-Loaded Mixed Micelles with Enhanced Dissolution and Anticancer Activity

Khaled M. Darwish, Sameh S. Elhady, A. Chrouda, 2021, ACS omega.

β-Blockers bearing hydroxyethylamine and hydroxyethylene as potential SARS-CoV-2 Mpro inhibitors: rational based design, in silico, in vitro, and SAR studies for lead optimization

Khaled M. Darwish, Sameh S. Elhady, A. Chrouda, 2021, RSC advances.

Molecular Docking and Dynamics Simulation Revealed the Potential Inhibitory Activity of ACEIs Against SARS-CoV-2 Targeting the hACE2 Receptor

Khaled M. Darwish, Sameh S. Elhady, I. Eissa, 2021, Frontiers in Chemistry.

Calendulaglycoside A showing potential activity against SARS-CoV-2 main protease: Molecular docking, molecular dynamics, and SAR studies

Khaled M. Darwish, Sameh S. Elhady, A. Zaki, 2021, Journal of Traditional and Complementary Medicine.

In a search for potential drug candidates for combating COVID-19: computational study revealed salvianolic acid B as a potential therapeutic targeting 3CLpro and spike proteins

Khaled M. Darwish, Sameh S. Elhady, Ayman Abo Elmaaty, 2021, Journal of biomolecular structure & dynamics.

Biological evaluation, docking studies, and in silico ADME prediction of some pyrimidine and pyridine derivatives as potential EGFRWT and EGFRT790M inhibitors

T. Al-Warhi, Wagdy M. Eldehna, A. Nabil, 2022, Journal of enzyme inhibition and medicinal chemistry.

Computational repurposing of benzimidazole anthelmintic drugs as potential colchicine binding site inhibitors.

A. A. Al-karmalawy, M. Khattab, A. Al-karmalawy, 2021, Future medicinal chemistry.

Revisiting Activity of Some Nocodazole Analogues as a Potential Anticancer Drugs Using Molecular Docking and DFT Calculations

A. A. Al-karmalawy, M. Khattab, A. Al-karmalawy, 2021, Frontiers in Chemistry.

Molecular modelling of mebendazole polymorphs as a potential colchicine binding site inhibitor

A. A. Al-karmalawy, M. Khattab, 2020 .

Bioassay-guided isolation of a new cytotoxic ceramide from Cyperus rotundus L.

A. Zaghloul, A. Soliman, A. Zaki, 2021, South African Journal of Botany.

Investigating the Potential Anti-SARS-CoV-2 and Anti-MERS-CoV Activities of Yellow Necklacepod among Three Selected Medicinal Plants: Extraction, Isolation, Identification, In Vitro, Modes of Action, and Molecular Docking Studies

H. Abd-Alla, Heba-tollah M. Sweelam, Wagdy M. Eldehna, 2022, Metabolites.

Protective Effects of Mirazid on Gentamicin-induced Nephrotoxicity in Rats through Antioxidant, Anti-inflammatory, JNK1/ iNOS, and Apoptotic Pathways; Novel Mechanistic Insights

S. Antar, Ahmed A. Al-karmalawy, A. Mourad, 2022, Pharmaceutical Sciences.

Molecular docking reveals the potential of Cleome amblyocarpa isolated compounds to inhibit COVID-19 virus main protease

A. Zaki, A. Ashour, A. A. Al-karmalawy, 2020, New Journal of Chemistry.

Cytotoxic effects of extracts obtained from plants of the Oleaceae family: bio-guided isolation and molecular docking of new secoiridoids from Jasminum humile

Mona El-Neketi, A. A. Al-karmalawy, M. Lahloub, 2022, Pharmaceutical biology.

Investigating the potential anticancer activities of antibiotics as topoisomerase II inhibitors and DNA intercalators: in vitro, molecular docking, molecular dynamics, and SAR studies

Faten Farouk, Wagdy M. Eldehna, Ayman Abo Elmaaty, 2023, Journal of enzyme inhibition and medicinal chemistry.

Design and Synthesis of New Quinoxaline Derivatives as Potential Histone Deacetylase Inhibitors Targeting Hepatocellular Carcinoma: In Silico, In Vitro, and SAR Studies

Chao Ma, I. Eissa, M. S. Taghour, 2021, Frontiers in Chemistry.

Telaprevir is a potential drug for repurposing against SARS-CoV-2: computational and in vitro studies

M. Elhefnawi, Mahmoud M. Shehata, M. Ali, 2021, Heliyon.

In Silico Prediction of a Multitope Vaccine against Moraxella catarrhalis: Reverse Vaccinology and Immunoinformatics

M. Soltan, R. Eid, A. A. Al-karmalawy, 2021, Vaccines.

Computational Insights on the Potential of Some NSAIDs for Treating COVID-19: Priority Set and Lead Optimization

Muhammad I. Ismail, A. A. Al-karmalawy, M. Khattab, 2021, Molecules.

Empagliflozin and Doxorubicin Synergistically Inhibit the Survival of Triple-Negative Breast Cancer Cells via Interfering with the mTOR Pathway and Inhibition of Calmodulin: In Vitro and Molecular Docking Studies.

R. Saleh, M. Elshal, A. A. Al-karmalawy, 2020, ACS pharmacology & translational science.

Potential Valorization of Edible Nuts By-Products: Exploring the Immune-Modulatory and Antioxidants Effects of Selected Nut Shells Extracts in Relation to Their Metabolic Profiles

A. Fernie, Mohamed A. Salem, S. Ezzat, 2022, Antioxidants.

In vitro and computational insights revealing the potential inhibitory effect of Tanshinone IIA against influenza A virus

A. Kandeil, Omnia Kutkat, Ayman Abo Elmaaty, 2021, Comput. Biol. Medicine.

Design, Synthesis, Biological Evaluation, and SAR Studies of Novel Cyclopentaquinoline Derivatives as DNA Intercalators, Topoisomerase II Inhibitors, and Apoptotic Inducers

E. Gomaa, A. A. Al-karmalawy, M. Morsi, 2022, New Journal of Chemistry.

Coronavirus Disease (COVID-19) Control between Drug Repurposing and Vaccination: A Comprehensive Overview

S. Antar, G. Yahya, A. Chrouda, 2021, Vaccines.

Naturally Available Flavonoid Aglycones as Potential Antiviral Drug Candidates against SARS-CoV-2

Mahmoud M. Shehata, Gomaa Mostafa-Hedeab, A. Mostafa, 2021, Molecules.

Two new flavonoids and anticancer activity of Hymenosporum flavum: in vitro and molecular docking studies

Walaa El-Kashak, Hany Khalil, Rehab F Taher, 2021, Journal of Herbmed Pharmacology.

Pimenta dioica (L.) Merr. Bioactive Constituents Exert Anti-SARS-CoV-2 and Anti-Inflammatory Activities: Molecular Docking and Dynamics, In Vitro, and In Vivo Studies

Muhammad I. Ismail, Ahmed A. Al-karmalawy, A. Taher, 2021, Molecules.

Anti-SARS-CoV-2 activities of tanshinone IIA, carnosic acid, rosmarinic acid, salvianolic acid, baicalein, and glycyrrhetinic acid between computational and in vitro insights

A. Kandeil, W. Elkhatib, Omnia Kutkat, 2021, RSC advances.

Revisiting activity of some glucocorticoids as a potential inhibitor of SARS-CoV-2 main protease: theoretical study

M. M. Khalifa, Ayman Abo Elmaaty, A. A. Al-karmalawy, 2021, RSC advances.

Concanavalin-A shows synergistic cytotoxicity with tamoxifen via inducing apoptosis in estrogen receptor-positive breast cancer: In vitro and molecular docking studies

I. El-Sayed, A. A. Al-karmalawy, Mohamed Elshal, 2021, Pharmaceutical Sciences.

Molecular docking, molecular dynamics, and in vitro studies reveal the potential of angiotensin II receptor blockers to inhibit the COVID-19 main protease

A. Kandeil, A. Mostafa, A. A. Al-karmalawy, 2020, Heliyon.

Tailoring of Rosuvastatin Calcium and Atenolol Bilayer Tablets for the Management of Hyperlipidemia Associated with Hypertension: A Preclinical Study

A. Ramadan, Mohamed A. El Hamd, E. Mahmoud, 2022, Pharmaceutics.

Delineating a potent antiviral activity of Cuphea ignea extract loaded nano-formulation against SARS-CoV-2: In silico and in vitro studies

M. Ali, S. Ezzat, A. Kandeil, 2021, Journal of Drug Delivery Science and Technology.

Scrutinizing the Feasibility of Nonionic Surfactants to Form Isotropic Bicelles of Curcumin: a Potential Antiviral Candidate Against COVID-19

Y. Moatasim, A. Mostafa, A. A. Al-karmalawy, 2021, AAPS PharmSciTech.

Glimepiride ameliorates renal toxicity induced by cadmium in mice: Modulation of Jun N terminal kinase (JNK)/nuclear factor kappa B (NF-κB) and phosphatidylinositol 3-kinases (PI3K)/protein kinase (AKT) pathways.

S. Antar, S. Alnasser, W. Abdo, 2022, Life sciences.

Design and synthesis of novel rigid dibenzo[b,f]azepines through ring closure technique as promising anticancer candidates against leukaemia and acting as selective topoisomerase II inhibitors and DNA intercalators

T. Al-Warhi, Wagdy M. Eldehna, Mohamed S. Nafie, 2023, Journal of enzyme inhibition and medicinal chemistry.

Synthesis, structural characterization, DFT calculations, molecular docking, and molecular dynamics simulations of a novel ferrocene derivative to unravel its potential antitumor activity

J. Van der Eycken, Hamada S. Abulkhair, A. A. Al-karmalawy, 2022, Journal of biomolecular structure & dynamics.

The anticancer and EGFR-TK/CDK-9 dual inhibitory potentials of new synthetic pyranopyrazole and pyrazolone derivatives: X-ray crystallography, in vitro, and in silico mechanistic investigations.

M. Abdelgawad, A. Musa, Sami I. Alzarea, 2023, Journal of biomolecular structure & dynamics.

Metformin ameliorates doxorubicin induced cardiotoxicity targeting HMGB1/TLR4/NLRP3 signaling pathway in mice.

S. Antar, A. Belal, W. Abdo, 2023, Life sciences.

Design and Synthesis of a New Series of 3,5-Disubstituted-1,2,4-Oxadiazoles as Potential Colchicine Binding Site Inhibitors: Antiproliferative activity, Molecular docking, and SAR Studies

A. A. Al-karmalawy, R. Diab, Zakaria Abdelsamii, 2021, New Journal of Chemistry.

Bioactive Polyphenolic Compounds Showing Strong Antiviral Activities against Severe Acute Respiratory Syndrome Coronavirus 2

M. Ali, G. Kayali, A. Kandeil, 2021, Pathogens.

In Silico and In Vivo Evaluation of SARS-CoV-2 Predicted Epitopes-Based Candidate Vaccine

Mahmoud M. Shehata, M. Ali, Sara H Mahmoud, 2021, Molecules.

Loperamide potentiates doxorubicin sensitivity in triple‐negative breast cancer cells by targeting MDR1 and JNK and suppressing mTOR and Bcl‐2: In vitro and molecular docking study

M. Elshal, A. A. Al-karmalawy, Shenouda G Elia, 2021, Journal of biochemical and molecular toxicology.

A Potential Role of Ethosuximide and Pentoxifylline in Relieving Abdominal Pain in Irritable Bowel Syndrome Patients Treated with Mebeverine: A Randomized, Double-Blind, Placebo-Controlled Trial

S. Abd-Elsalam, S. Hegazy, A. A. Al-karmalawy, 2022, Journal of inflammation research.

Design and synthesis of benzothiazole-based SLC-0111 analogues as new inhibitors for the cancer-associated carbonic anhydrase isoforms IX and XII

C. Supuran, H. Abdel‐Aziz, T. Al-Warhi, 2022, Journal of enzyme inhibition and medicinal chemistry.

4-(5-Amino-pyrazol-1-yl)benzenesulfonamide derivatives as novel multi-target anti-inflammatory agents endowed with inhibitory activity against COX-2, 5-LOX and carbonic anhydrase: Design, synthesis, and biological assessments.

C. Supuran, Mohamed Elagawany, Wagdy M. Eldehna, 2023, European journal of medicinal chemistry.

Fibrosis: Types, Effects, Markers, Mechanisms for Disease Progression, and Its Relation with Oxidative Stress, Immunity, and Inflammation

S. Antar, A. A. Al-karmalawy, Nada A. Ashour, 2023, International journal of molecular sciences.

The journey of antimalarial drugs against SARS-CoV-2: Review article

A. A. Al-karmalawy, Nada A. Ashour, Amany A. Sarhan, 2021, Informatics in Medicine Unlocked.

A Systematic Review of the Global Intervention for SARS-CoV-2 Combating: From Drugs Repurposing to Molnupiravir Approval

A. A. Al-karmalawy, E. Elkaeed, A. Moussa, 2022, Drug design, development and therapy.

From triazolophthalazines to triazoloquinazolines: A bioisosterism-guided approach toward the identification of novel PCAF inhibitors with potential anticancer activity.

M. El-Zoghbi, Hamada S. Abulkhair, A. A. Al-karmalawy, 2021, Bioorganic & medicinal chemistry.

In vitro and in silico characterization of alkaline serine protease from Bacillus subtilis D9 recovered from Saudi Arabia

A. Mahmoud, Essam Kotb, A. A. Al-karmalawy, 2021, Heliyon.

Metabolomics driven analysis of Nigella sativa seeds identifies the impact of roasting on the chemical composition and immunomodulatory activity.

A. Fernie, Mohamed A. Salem, S. Ezzat, 2022, Food chemistry.

Novel Hybrid Indole-Based Caffeic Acid Amide Derivatives as Potent Free Radical Scavenging Agents: Rational Design, Synthesis, Spectroscopic Characterization, In Silico and In Vitro Investigations

A. Belal, Minkyoung Kim, A. A. Al-karmalawy, 2023, Metabolites.

Novel topoisomerase II/EGFR dual inhibitors: design, synthesis and docking studies of naphtho[2′,3′:4,5]thiazolo[3,2-a]pyrimidine hybrids as potential anticancer agents with apoptosis inducing activity

A. Mourad, E. Roh, A. A. Al-karmalawy, 2023, Journal of enzyme inhibition and medicinal chemistry.

Cholinesterase Inhibitors from an Endophytic Fungus Aspergillus niveus Fv-er401: Metabolomics, Isolation and Molecular Docking

A. Al-Taweel, G. Fawzy, A. Tripathi, 2023, Molecules.

Bioactive fraction from Plumeria obtusa L. attenuates LPS-induced acute lung injury in mice and inflammation in RAW 264.7 macrophages: LC/QToF-MS and molecular docking

M. Meselhy, I. Khan, Yasmine H. Ahmed, 2023, Inflammopharmacology.

Design and Synthesis of Novel Quinazolinone-Chalcone Hybrids as Potential Apoptotic Candidates Targeting Caspase-3 and PARP-1: In Vitro, Molecular docking, and SAR Studies

D. Kletsas, H. Pratsinis, A. A. Al-karmalawy, 2022, New Journal of Chemistry.

Design and statistical optimisation of emulsomal nanoparticles for improved anti-SARS-CoV-2 activity of N-(5-nitrothiazol-2-yl)-carboxamido candidates: in vitro and in silico studies

R. El-Shesheny, Mohamed Elagawany, Wagdy M. Eldehna, 2023, Journal of enzyme inhibition and medicinal chemistry.

Design and synthesis of new 4-(2-nitrophenoxy)benzamide derivatives as potential antiviral agents: molecular modeling and in vitro antiviral screening

Sara H Mahmoud, E. El‐Fakharany, A. A. Al-karmalawy, 2021, New Journal of Chemistry.

A novel class of phenylpyrazolone-sulphonamides rigid synthetic anticancer molecules selectively inhibit the isoform IX of carbonic anhydrases guided by molecular docking and orbital analyses

Hany E. A. Ahmed, A. El-Agrody, Azizah M Malebari, 2023, Journal of biomolecular structure & dynamics.

metabolites Investigating the Potential Anti-SARS-CoV-2 and Anti-MERS-CoV Activities of Yellow Necklacepod among Three Selected Medicinal Plants: Extraction, Isolation, Identiﬁcation, In Vitro, Modes of Action, and Molecular Docking Studies

H. Abd-Alla, Heba-tollah M. Sweelam, Wagdy M. Eldehna, 2022 .

Identification of Antimicrobial Metabolites from the Egyptian Soil-Derived Amycolatopsis keratiniphila Revealed by Untargeted Metabolomics and Molecular Docking

A. Al-Taweel, G. Fawzy, A. Tripathi, 2023, Metabolites.

Pirfenidone and vitamin D mitigate renal fibrosis induced by doxorubicin in mice with Ehrlich solid tumor.

S. Antar, M. Saleh, A. A. Al-karmalawy, 2021, Life sciences.

Cordyline fruticose (L.) A. Chev. Leaves: Isolation, HPLC/MS profiling and evaluation of nephroprotective and hepatoprotective activities supported by molecular docking.

A. A. Al-karmalawy, Ahmed I. Abd El Maksoud, Aml Ghanem, 2021, New Journal of Chemistry.

Development of new TAK-285 derivatives as potent EGFR/HER2 inhibitors possessing antiproliferative effects against 22RV1 and PC3 prostate carcinoma cell lines

S. Son, S. Ibrahim, A. A. Al-karmalawy, 2023, Journal of enzyme inhibition and medicinal chemistry.

Taming Food–Drug Interaction Risk: Potential Inhibitory Effects of Citrus Juices on Cytochrome Liver Enzymes Can Safeguard the Liver from Overdose Paracetamol-Induced Hepatotoxicity

A. Sleem, F. Youssef, F. Morsy, 2023, ACS omega.

Experimental Design of D-α-tocopherol polyethylene glycol 1000 succinate Stabilized Bile Salt Based Nano-vesicles for Improved Cytotoxicity and Bioavailability of Colchicine Binding Site Inhibitor Candidates: In Vitro, In silico, and Pharmacokinetic Studies.

Mohamed S. Nafie, A. A. Al-karmalawy, Radwan Alnajjar, 2023, International journal of pharmaceutics.

Promoter methylation might shift the balance of Galectin-3 & 12 expression in de novo adult acute myeloid leukemia patients

M. Ghoneim, M. Alshahrani, A. Belal, 2023, Frontiers in Genetics.

Design and Synthesis of Benzenesulfonamides Coupled with Piperidine, Morpholine, and N , N ‐Dimethylethanamine Moieties as Apoptotic Inducers through VEGFR2 and Topoisomerase II Inhibition

Mohamed S. Nafie, A. A. Al-karmalawy, Khalid Althumayri, 2023, ChemistrySelect.

Investigation of the phytochemical composition, antioxidant, antibacterial, anti-osteoarthritis, and wound healing activities of selected vegetable waste

Esraa M. Mosalam, Mohamed A. Salem, S. Ezzat, 2023, Scientific reports.

Detection of Coronaviruses in Bats in Lebanon during 2020

R. Webby, G. Kayali, Zumama Khalid, 2023, Pathogens.

A Comprehensive Overview of Organ Inflammatory Responses: Genesis, Possible Mechanisms, and Mediators of Inflammation

S. Antar, W. Abdo, A. A. Al-karmalawy, 2023, Pharmaceutical Sciences.

Novel 4-thiophenyl-pyrazole, pyridine, and pyrimidine derivatives as potential antitumor candidates targeting both EGFR and VEGFR-2; design, synthesis, biological evaluations, and in silico studies

Ali Khalil Ali, A. A. Al-karmalawy, N. A. Abd El-Sattar, 2023, RSC advances.

Thieno[2,3-b]thiophene Derivatives as Potential EGFRWT and EGFRT790M Inhibitors with Antioxidant Activities: Microwave-Assisted Synthesis and Quantitative In Vitro and In Silico Studies

E. Shokr, Xiang Ma, A. Belal, 2022, ACS omega.

Novel fused imidazotriazines acting as promising top. II inhibitors and apoptotic inducers with greater selectivity against head and neck tumors: Design, synthesis, and biological assessments.

Hamada S. Abulkhair, A. A. Al-karmalawy, Haytham O. Tawfik, 2023, European journal of medicinal chemistry.

Spirulina therapeutic potentiality in polycystic ovarian syndrome management using DHEA-induced rat model.

A. A. Al-karmalawy, E. Elkaeed, A. Khalifa, 2022, European review for medical and pharmacological sciences.