Ahmed Elkerdawy

Publications

• Design, synthesis, molecular docking and cytotoxic evaluation of novel 2-furybenzimidazoles as VEGFR-2 inhibitors
• Type IIA - Type IIB protein tyrosine kinase inhibitors hybridization as an efficient approach for potent multikinase inhibitor development: Design, synthesis, anti-proliferative activity, multikinase inhibitory activity and molecular modeling of novel indolinone-based ureides and amides
• Design, synthesis and in silico insights of new 7,8-disubstituted-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione derivatives with potent anticancer and multi-kinase inhibitory activities
• Modulation of endoplasmic reticulum stress response in gut-origin encephalopathy: Impact of vascular endothelial growth factor receptor-2 manipulation
• Design and Synthesis of some new 2,4,6-trisubstituted quinazoline EGFR inhibitors as targeted anticancer agents
• Novel oxindole/benzofuran hybrids as potential dual CDK2/GSK-3β inhibitors targeting breast cancer: design, synthesis, biological evaluation, and in silico studies
• Targeting receptor tyrosine kinase VEGFR-2 in hepatocellular cancer: Rational design, synthesis and biological evaluation of 1,2-disubstituted benzimidazoles
• Discovery of 4-benzyloxy and 4-(2-phenylethoxy) chalcone fibrate hybrids as novel PPARα agonists with anti-hyperlipidemic and antioxidant activities: Design, synthesis and in vitro/in vivo biological evaluation
• Sulfonamide-based 4-anilinoquinoline derivatives as novel dual Aurora kinase (AURKA/B) inhibitors: Synthesis, biological evaluation and in silico insights
• Structural characterization, thermal, DFT, cytotoxicity, and antimetastatic properties of cocaine complexes with La(III), Er(III), and Yb(III)
• Structural characterization, thermal analyses, antiproliferative and antimicrobial activity of cocaine complexes with mn(II) and cu(II)
• Synthesis, structural characterization, density functional theory calculations, and antimicrobial, anticancer, and antimetastatic properties of nanosized heteroleptic complexes of cocaine/TMEDA with d-block metal ions
• Design, synthesis, and molecular docking of novel indole scaffold-based VEGFR-2 inhibitors as targeted anticancer agents
• Anticancer activities, molecular docking and structure–activity relationship of novel synthesized 4H-chromene, and 5H-chromeno[2,3-d]pyrimidine candidates
• Synthesis and molecular docking of new imidazoquinazolinones as analgesic agents and selective COX-2 inhibitors
• Identification of the beer component hordenine as food-derived dopamine D2 receptor agonist by virtual screening a 3D compound database
• Novel benzenesulfonamide-thiouracil conjugates with a flexible N-ethyl acetamide linker as selective CA IX and CA XII inhibitors
• Novel 2-oxo-2-phenylethoxy and benzyloxy diaryl urea hybrids as VEGFR-2 inhibitors: Design, synthesis, and anticancer evaluation
• A Perspective Study on the RTK, PI3K, B-Raf, CDK and the Multi-Protein Targeting in Medicinal Chemistry
• Discovery of novel thioquinazoline-N-aryl-acetamide/N-arylacetohydrazide hybrids as anti-SARS-CoV-2 agents: Synthesis, in vitro biological evaluation, and molecular docking studies
• QSRR modeling of the chromatographic retention behavior of some quinolone and sulfonamide antibacterial agents using firefly algorithm coupled to support vector machine
• New quinazolinone-based derivatives as DHFR/EGFR-TK inhibitors: Synthesis, molecular modeling simulations, and anticancer activity
• Receptor-based pharmacophore modeling, virtual screening, and molecular docking studies for the discovery of novel GSK-3β inhibitors
• Novel 2-(5-Aryl-4,5-Dihydropyrazol-1-yl)thiazol-4-One as EGFR Inhibitors: Synthesis, Biological Assessment and Molecular Docking Insights
• Multimodal Transformer-based Model for Buchwald-Hartwig and Suzuki-Miyaura Reaction Yield Prediction
• Design, synthesis and anticancer activity of novel 2-arylbenzimidazole/2-thiopyrimidines and 2-thioquinazolin-4(3H)-ones conjugates as targeted RAF and VEGFR-2 kinases inhibitors
• Design and synthesis of novel quinazolinone-based fibrates as PPARα agonists with antihyperlipidemic activity
• QSRR modeling of the chromatographic retention behavior for some quinolone and sulfonamide antibacterial agents using firefly algorithm coupled to support vector machine
• Identification of 3-(piperazinylmethyl)benzofuran derivatives as novel type II CDK2 inhibitors: design, synthesis, biological evaluation, and in silico insights
• QSRR modeling for the chromatographic retention behavior of some β-lactam antibiotics using forward and firefly variable selection algorithms coupled with multiple linear regression
• New thiazol-hydrazono-coumarin hybrids targeting human cervical cancer cells: Synthesis, CDK2 inhibition, QSAR and molecular docking studies
• Application of the dual-tail approach for the design and synthesis of novel Thiopyrimidine–Benzenesulfonamide hybrids as selective carbonic anhydrase inhibitors
• Similarity-based machine learning framework for predicting safety signals of adverse drug–drug interactions
• Novel benzothiazole-based dual VEGFR-2/EGFR inhibitors targeting breast and liver cancers: Synthesis, cytotoxic activity, QSAR and molecular docking studies
• Recombinant human growth hormone improves the immune status of rats with septic encephalopathy: The role of VEGFR2 in the prevalence of endoplasmic reticulum stress repair module
• New thiopyrimidine-benzenesulfonamide conjugates as selective carbonic anhydrase II inhibitors: synthesis, in vitro biological evaluation, and molecular docking studies
• In vitro MAO-B inhibitory effects of citrus trifoliata L. fruits extract, self-nano-emulsifying drug delivery system and isolated hesperidin: Enzyme assay and molecular docking study
• Design, synthesis, and molecular docking of novel 2-arylbenzothiazole multiangiokinase inhibitors targeting breast cancer
• Phytochemical profile and cytotoxic activity of selected organs of sambucus nigra L. via enzyme assay and molecular docking study
• Design and synthesis of novel 4-fluorobenzamide-based derivatives as promising anti-inflammatory and analgesic agents with an enhanced gastric tolerability and COX-inhibitory activity
• Some 1,3,5-trisubstituted pyrazoline derivatives targeting breast cancer: Design, synthesis, cytotoxic activity, EGFR inhibition and molecular docking
• Design, synthesis, biological evaluation, and molecular docking of novel quinazolinone EGFR inhibitors as targeted anticancer agents
• Increasing the binding affinity of VEGFR-2 inhibitors by extending their hydrophobic interaction with the active site: Design, synthesis and biological evaluation of 1-substituted-4-(4-methoxybenzyl) phthalazine derivatives
• Quantum-mechanics-based molecular interaction fields for 3D-QSAR
• Directional Noncovalent Interactions: Repulsion and Dispersion
• Novel potent substituted 4-amino-2-thiopyrimidines as dual VEGFR-2 and BRAF kinase inhibitors
• Novel 2-arylbenzothiazole DNA gyrase inhibitors: Synthesis, antimicrobial evaluation, QSAR and molecular docking studies
• Design, synthesis and biological evaluation of novel pyrazole sulfonamide derivatives as dual COX-2/5-LOX inhibitors
• Heteroleptic complexes of cocaine/TMEDA with some f block metals: Synthesis, DFT studies, spectral, thermal, cytotoxicity and antimetastatic properties
• Synthesis, Biological Evaluation and In Silico Studies of Certain Oxindole–Indole Conjugates as Anticancer CDK Inhibitors
• Economical and Accurate Protocol for Calculating Hydrogen-Bond-Acceptor Strengths
• Quantum Mechanics-Based Properties for 3D-QSAR
• Predicting the Sites and Energies of Noncovalent Intermolecular Interactions Using Local Properties
• Conformation-Dependent QSPR Models: logPOW
• Synthesis and Anticonvulsant Activity of Certain Substituted Furochromone, Benzofuran and Flavone Derivatives
• Coordination behavior of cocaine toward d-block metal ions: Synthesis, spectral analysis, density functional theory (DFT) studies, and chemotherapeutic activity
• Signal Detection in Pharmacovigilance: A Review of Informatics-driven Approaches for the Discovery of Drug-Drug Interaction Signals in Different Data Sources
• Discovery of a new potent oxindole multi-kinase inhibitor among a series of designed 3-alkenyl-oxindoles with ancillary carbonic anhydrase inhibitory activity as antiproliferative agents
• Imidazo[4,5-b]phenazines as Dual Topoisomerase I/IIα Inhibitors: Design, Synthesis, Biological Evaluation and Molecular Docking
• Rational design and synthesis of novel quinazolinone N-acetohydrazides as type II multi-kinase inhibitors and potential anticancer agents
• Coordination Behavior of Cocaine Toward d-Block Metal Ions: Synthesis, Spectral Analysis, DFT Studies, And Chemotherapeutic Activity
• Synthesis and Biological Evaluation of New 3-Substituted-pyrazolo[3,4-b]pyridine Derivatives as Antimicrobial Agents and DHFR Inhibitors
• Discovery of dual rho-associated protein kinase 1 (ROCK1)/apoptosis signal–regulating kinase 1 (ASK1) inhibitors as a novel approach for non-alcoholic steatohepatitis (NASH) treatment
• Morin suppresses mTORc1/IRE-1α/JNK and IP3R-VDAC-1 pathways: Crucial mechanisms in apoptosis and mitophagy inhibition in experimental Huntington's disease, supported by in silico molecular docking simulations
• Design, Synthesis, Molecular Docking Studies and in Silico Prediction of ADME Properties of New 5-Nitrobenzimidazole/thiopyrimidine Hybrids as Anti-angiogenic Agents Targeting Hepatocellular Carcinoma
• Novel thiazolidin-4-one benzenesulfonamide hybrids as PPARγ agonists: Design, synthesis and in vivo anti-diabetic evaluation
• In Silico and In Vitro Screening of Some Pregnane Glycosides Isolated from Certain Caralluma Species as SARS-COV-2 Main Protease Inhibitors
• Receptor-based pharmacophore modeling, molecular docking, synthesis and biological evaluation of novel VEGFR-2, FGFR-1, and BRAF multi-kinase inhibitors
• Discovery of dual kinase inhibitors targeting VEGFR2 and FAK: structure-based pharmacophore modeling, virtual screening, and molecular docking studies
• Benzimidazole-oxindole hybrids as multi-kinase inhibitors targeting melanoma