Novel thiophene Chalcones-Coumarin as acetylcholinesterase inhibitors: Design, synthesis, biological evaluation, molecular docking, ADMET prediction and molecular dynamics … AH Hasan, S Murugesan, SI Amran, S Chander, MM Alanazi, TB Hadda, ... Bioorganic Chemistry 119, 105572, 2022 | 64 | 2022 |
Potential inhibitory activity of phytoconstituents against black fungus: In silico ADMET, molecular docking and MD simulation studies NH Hussen, AH Hasan, J Jamalis, S Shakya, S Chander, H Kharkwal, ... Computational Toxicology 24, 100247, 2022 | 41 | 2022 |
Thiazole-pyrazoline hybrids as potential antimicrobial agent: Synthesis, biological evaluation, molecular docking, DFT studies and POM analysis RHH Salih, AH Hasan, NH Hussen, FE Hawaiz, TB Hadda, J Jamalis, ... Journal of Molecular Structure 1282, 135191, 2023 | 38 | 2023 |
In silico discovery of multi-targeting inhibitors for the COVID-19 treatment by molecular docking, molecular dynamics simulation studies, and ADMET predictions AH Hasan, NH Hussen, S Shakya, J Jamalis, MRF Pratama, S Chander, ... Structural Chemistry 33 (5), 1645-1665, 2022 | 31 | 2022 |
One-pot synthesis, molecular docking, ADMET, and DFT studies of novel pyrazolines as promising SARS-CoV-2 main protease inhibitors RHH Salih, AH Hasan, AJ Hussein, MK Samad, S Shakya, J Jamalis, ... Research on Chemical Intermediates 48 (11), 4729-4751, 2022 | 30 | 2022 |
Design, synthesis, anti-acetylcholinesterase evaluation and molecular modelling studies of novel coumarin-chalcone hybrids AH Hasan, S Shakya, FHS Hussain, S Murugesan, S Chander, ... Journal of Biomolecular Structure and Dynamics 41 (21), 11450-11462, 2023 | 20 | 2023 |
Green synthesis, antibacterial and antifungal evaluation of new thiazolidine-2, 4-dione derivatives: molecular dynamic simulation, POM study and identification of antitumor … S Ahmed, AR Bhat, AK Rahiman, RS Dongre, AH Hasan, V Niranjan, ... Journal of Biomolecular Structure and Dynamics 42 (20), 10635-10651, 2024 | 19 | 2024 |
Carbon Dot Based Carbon Nanoparticles as Potent Antimicrobial, Antiviral, and Anticancer Agents NH Hussen, AH Hasan, YM FaqiKhedr, A Bogoyavlenskiy, AR Bhat, ... ACS omega 9 (9), 9849-9864, 2024 | 19 | 2024 |
Molecular Docking and Recent Advances in the Design and Development of Cholinesterase Inhibitor Scaffolds: Coumarin Hybrids AH Hasan, SI Amran, FHS Hussain, BA Jaff, J Jamalis ChemistrySelect 4 (48), 14140-14156, 2019 | 16 | 2019 |
Discovery of novel coumarin-schiff base hybrids as potential acetylcholinesterase inhibitors: design, synthesis, enzyme inhibition, and computational studies AH Hasan, FA Abdulrahman, AJ Obaidullah, HF Alotaibi, MM Alanazi, ... Pharmaceuticals 16 (7), 971, 2023 | 15 | 2023 |
Synthesis, anti-acetylcholinesterase evaluation, molecular docking and molecular dynamics simulation of novel Psoralen derivatives AH Hasan, FSM Yusof, NA Kamarudin, S Murugesan, S Shakya, ... Current organic synthesis 21 (1), 61-77, 2023 | 14 | 2023 |
Synthesis, biological evaluation and molecular modeling studies of modulated benzyloxychalcones as potential acetylcholinesterase inhibitors A Abdalla Ali, SA Mhamad, AH Hasan, I Ahmad, SA Abdullah, S Jamil, ... Journal of Biomolecular Structure and Dynamics 42 (7), 3604-3615, 2024 | 12 | 2024 |
Anthracycline in Medicinal Chemistry: Mechanism of Cardiotoxicity, Preventive and Treatment Strategies NH Hussen, AH Hasan, GO Muhammed, AY Yassin, RR Salih, PA Esmail, ... Current Organic Chemistry 27 (4), 363-377, 2023 | 12 | 2023 |
Nutritional, Antioxidant, Antimicrobial, and Anticholinesterase Properties of Phyllanthus emblica: A Study Supported by Spectroscopic and Computational … MAA Orabi, AH Hasan, SF AbouZid, D El Amir, MH Hetta, AAA Awadh, ... Metabolites 13 (9), 1013, 2023 | 11 | 2023 |
Novel penicillin derivatives against selected multiple-drug resistant bacterial strains: Design, synthesis, structural analysis, in silico and in vitro studies NH Hussen, SJ Hamid, MN Sabir, AH Hasan, SJ Mohammed, AAK Shali Current Organic Synthesis 21 (5), 684-703, 2024 | 9 | 2024 |
DFT and Molecular Docking Analysis of Newly Synthesized Compound (2E)-3-[3-(Benzyloxy) Phenyl]-1-(4’-Chlorophe-Nyl)-2-Propen-1-One [Bpclpo] K Anbukarasi, S Xavier, AH Hasan, YL Er, J Jamalis, S Sebastian, ... Current Physical Chemistry 13 (1), 37-74, 2023 | 7 | 2023 |
An efficient synthesis, structural analysis, and computational studies of benzothiazole derivatives activated by formic acid under solvent-free conditions KA Abdalkarim, SJ Mohammed, AH Hasan, KM Omer, F Paularokiadoss, ... Chemical Physics Impact 8, 100402, 2024 | 6 | 2024 |
Trivalent Metal Complexes of Rich-Hyrdoxy Schiff base Ligand: Synthesis, Characterization, DFT Calculations and Antimicrobial Activity H Hassan, K Abdalkarim, D Abdul, A Hasan, D Tofiq, R Hamarawf, S Aziz, ... Journal of Zankoy Sulaimani-Part A 25 (2), 25-25, 2023 | 3 | 2023 |
Naturally Occurring Isorhamnetin Glycosides as Potential Agents Against Influenza Viruses: Antiviral and Molecular Docking Studies A Bogoyavlenskiy, I Zaitseva, P Alexyuk, M Alexyuk, E Omirtaeva, ... ACS omega 8 (50), 48499-48514, 2023 | 3 | 2023 |
Advances in the Synthesis of Diarylpyrimidine as Potent Non-Nucleoside Reverse Transcriptase Inhibitors: Biological Activities, Molecular Docking Studies and Structure-Activity … M Suleiman, AH Hasan, S Murugesan, SI Amran, J Jamalis Current Organic Chemistry 27 (8), 661-691, 2023 | 3 | 2023 |