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( E )- N -(3-(1-(2-(4-(2,2,2-Trifluoroacetamido)benzoyl)hydrazono)ethyl)phenyl)nicotinamide: A Novel Pyridine Derivative for Inhibiting Vascular Endothelial Growth Factor Receptor-2: Synthesis, Computational, and Anticancer Studies

Molecules (Basel, Switzerland), 2022-11, Vol.27 (22), p.7719

2022

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New Triazinoindole Bearing Benzimidazole/Benzoxazole Hybrids Analogs as Potent Inhibitors of Urease: Synthesis, In Vitro Analysis and Molecular Docking Studies

Molecules (Basel, Switzerland), 2022-10, Vol.27 (19), p.6580

2022

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New Pyrimidine-5-Carbonitriles as COX-2 Inhibitors: Design, Synthesis, Anticancer Screening, Molecular Docking, and In Silico ADME Profile Studies

Molecules (Basel, Switzerland), 2022-11, Vol.27 (21), p.7485

2022

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Discovery of new thiazolidine-2,4-dione derivatives as potential VEGFR-2 inhibitors: In vitro and in silico studies

Heliyon, 2024-01, Vol.10 (2), p.e24005-e24005, Article e24005

2024

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Synthesis, DFT calculations, and anti-proliferative evaluation of pyrimidine and selenadiazolopyrimidine derivatives as dual Topoisomerase II and HSP90 inhibitors

Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.2198163-2198163

2023

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Design, synthesis, docking, and anticancer evaluations of new thiazolo[3,2-a] pyrimidines as topoisomerase II inhibitors

Journal of enzyme inhibition and medicinal chemistry, 2023-12, Vol.38 (1), p.2175209-2175209

2023

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New thiazolidine-2,4-diones as effective anti-proliferative and anti-VEGFR-2 agents: Design, synthesis, in vitro, docking, MD simulations, DFT, ADMET, and toxicity studies

Computational biology and chemistry, 2023-12, Vol.107, p.107958-107958, Article 107958

2023

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Design, synthesis and mechanistic study of new dual targeting HDAC/tubulin inhibitors

Future medicinal chemistry, 2024-04, Vol.16 (7), p.601-622

2024

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Novel Aminopyrimidine-2,4-diones, 2-Thiopyrimidine-4-ones, and 6-Arylpteridines as Dual-Target Inhibitors of BRD4/PLK1: Design, Synthesis, Cytotoxicity, and Computational Studies

Pharmaceuticals (Basel, Switzerland), 2023-09, Vol.16 (9), p.1303

2023

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Anticancer potential of novel 5-Fluorouracil co-crystals against MCF7 breast and SW480 colon cancer cell lines along with docking studies

Arabian journal of chemistry, 2022-12, Vol.15 (12), p.104299, Article 104299

2022

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Identification of novel diclofenac acid and naproxen bearing hydrazones as 15-LOX inhibitors: Design, synthesis, in vitro evaluation, cytotoxicity, and in silico studies

Arabian journal of chemistry, 2022-12, Vol.15 (12), p.104300, Article 104300

2022

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Synthesis, molecular docking and ADMET studies of bis-benzimidazole-based thiadiazole derivatives as potent inhibitors, in vitro α-amylase and α-glucosidase

Arabian journal of chemistry, 2023-07, Vol.16 (7), p.104847, Article 104847

2023

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Crystal structure of 4-bromobenzyl (Z)-N-(adamantan-1-yl)morpholine-4-carbothioimidate, C22H29BrN2OS

Zeitschrift für Kristallographie. New crystal structures, 2019-09, Vol.234 (5), p.1001-1003

2019

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Synthesis of Novel 2,3-Dihydro-1,5-Benzothiazepines as α‑Glucosidase Inhibitors: In Vitro, In Vivo, Kinetic, SAR, Molecular Docking, and QSAR Studies

ACS omega, 2022-08, Vol.7 (34), p.30215-30232

2022

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Theoretical vibrational spectroscopy (FT-IR), PED and DFT calculations of chromones and thiochromones

Journal of molecular structure, 2022-12, Vol.1270, p.133972, Article 133972

2022

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Discovery of chalcone derivatives as potential α-glucosidase and cholinesterase inhibitors: Effect of hyperglycemia in paving a path to dementia

Journal of molecular structure, 2023-03, Vol.1275, p.134658, Article 134658

2023

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New modified thieno[2,3-d]pyrimidine derivatives as VEGFR-2 inhibitors: Design, synthesis, in vitro anti-cancer evaluation and divers in silico studies

Journal of molecular structure, 2024-04, Vol.1302, p.137465, Article 137465

2024

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Reactivity properties and adsorption behavior of a triazole derivative – DFT and MD simulation studies

Journal of molecular liquids, 2021-11, Vol.341, p.117439, Article 117439

2021

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nicotinamide: A Novel Pyridine Derivative for Inhibiting Vascular Endothelial Growth Factor Receptor-2: Synthesis, Computational, and Anticancer Studies

Molecules (Basel, Switzerland), 2022-11, Vol.27 (22)

2022

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Crystal structure of 4-bromobenzyl ( Z )- N -(adamantan-1-yl)morpholine-4-carbothioimidate, C 22 H 29 BrN 2 OS

Zeitschrift für Kristallographie. New crystal structures, 2019-09, Vol.234 (5), p.1001-1003

2019

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Insights into the weak Csp3–H···H–Csp3 mediated supramolecular architecture in ethyl 2-(5-bromopentanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, a probable selective COX-2 lead molecule: An integrated crystallographic and theoretical approach

Journal of molecular structure, 2020-01, Vol.1199, p.127019, Article 127019

2020

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Regioselective One-Pot Synthesis, Biological Activity and Molecular Docking Studies of Novel Conjugates N-(p-Aryltriazolyl)-1,5-benzodiazepin-2-ones as Potent Antibacterial and Antifungal Agents

Molecules (Basel, Switzerland), 2022-06, Vol.27 (13), p.4015

2022

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Synthesis of new 1,2,3-triazole linked benzimidazolidinone: Single crystal X-ray structure, biological activities evaluation and molecular docking studies

Arabian journal of chemistry, 2023-03, Vol.16 (3), p.104566, Article 104566

2023

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Chemoselective chlorination of 1,5-benzodiazepin-2-one derivatives by activated DMSO

Journal of molecular structure, 2023-12, Vol.1294, p.136520, Article 136520

2023

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Design and synthesis of new N-substituted benzimidazolidinone as predicted human BRD4 and human chymase inhibitors via molecular docking studies

Journal of molecular structure, 2023-12, Vol.1294, p.136325, Article 136325

2023

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( E )- N -(3-(1-(2-(4-(2,2,2-Trifluoroacetamido)benzoyl)hydrazono)ethyl)phenyl)nicotinamide: A Novel Pyridine Derivative for Inhibiting Vascular Endothelial Growth Factor Receptor-2: Synthesis, Computational, and Anticancer Studies

New Triazinoindole Bearing Benzimidazole/Benzoxazole Hybrids Analogs as Potent Inhibitors of Urease: Synthesis, In Vitro Analysis and Molecular Docking Studies

New Pyrimidine-5-Carbonitriles as COX-2 Inhibitors: Design, Synthesis, Anticancer Screening, Molecular Docking, and In Silico ADME Profile Studies

Discovery of new thiazolidine-2,4-dione derivatives as potential VEGFR-2 inhibitors: In vitro and in silico studies

Synthesis, DFT calculations, and anti-proliferative evaluation of pyrimidine and selenadiazolopyrimidine derivatives as dual Topoisomerase II and HSP90 inhibitors

Design, synthesis, docking, and anticancer evaluations of new thiazolo[3,2-a] pyrimidines as topoisomerase II inhibitors

New thiazolidine-2,4-diones as effective anti-proliferative and anti-VEGFR-2 agents: Design, synthesis, in vitro, docking, MD simulations, DFT, ADMET, and toxicity studies

Design, synthesis and mechanistic study of new dual targeting HDAC/tubulin inhibitors

Novel Aminopyrimidine-2,4-diones, 2-Thiopyrimidine-4-ones, and 6-Arylpteridines as Dual-Target Inhibitors of BRD4/PLK1: Design, Synthesis, Cytotoxicity, and Computational Studies

Anticancer potential of novel 5-Fluorouracil co-crystals against MCF7 breast and SW480 colon cancer cell lines along with docking studies

Identification of novel diclofenac acid and naproxen bearing hydrazones as 15-LOX inhibitors: Design, synthesis, in vitro evaluation, cytotoxicity, and in silico studies

Synthesis, molecular docking and ADMET studies of bis-benzimidazole-based thiadiazole derivatives as potent inhibitors, in vitro α-amylase and α-glucosidase

Crystal structure of 4-bromobenzyl (Z)-N-(adamantan-1-yl)morpholine-4-carbothioimidate, C22H29BrN2OS

Synthesis of Novel 2,3-Dihydro-1,5-Benzothiazepines as α‑Glucosidase Inhibitors: In Vitro, In Vivo, Kinetic, SAR, Molecular Docking, and QSAR Studies

Theoretical vibrational spectroscopy (FT-IR), PED and DFT calculations of chromones and thiochromones

Discovery of chalcone derivatives as potential α-glucosidase and cholinesterase inhibitors: Effect of hyperglycemia in paving a path to dementia

New modified thieno[2,3-d]pyrimidine derivatives as VEGFR-2 inhibitors: Design, synthesis, in vitro anti-cancer evaluation and divers in silico studies

Reactivity properties and adsorption behavior of a triazole derivative – DFT and MD simulation studies

nicotinamide: A Novel Pyridine Derivative for Inhibiting Vascular Endothelial Growth Factor Receptor-2: Synthesis, Computational, and Anticancer Studies

Crystal structure of 4-bromobenzyl ( Z )- N -(adamantan-1-yl)morpholine-4-carbothioimidate, C 22 H 29 BrN 2 OS

Insights into the weak Csp3–H···H–Csp3 mediated supramolecular architecture in ethyl 2-(5-bromopentanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, a probable selective COX-2 lead molecule: An integrated crystallographic and theoretical approach

Regioselective One-Pot Synthesis, Biological Activity and Molecular Docking Studies of Novel Conjugates N-(p-Aryltriazolyl)-1,5-benzodiazepin-2-ones as Potent Antibacterial and Antifungal Agents

Synthesis of new 1,2,3-triazole linked benzimidazolidinone: Single crystal X-ray structure, biological activities evaluation and molecular docking studies

Chemoselective chlorination of 1,5-benzodiazepin-2-one derivatives by activated DMSO

Design and synthesis of new N-substituted benzimidazolidinone as predicted human BRD4 and human chymase inhibitors via molecular docking studies

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