One-pot synthesis, molecular docking, ADMET, and DFT studies of novel pyrazolines as promising SARS-CoV-2 main protease inhibitors

by Salih, Rezan Huseen Hama, Hasan, Aso Hameed, Hussein, Awaz Jamil, Samad, Mohammed Kareem, Shakya, Sonam, Jamalis, Joazaizulfazli, Hawaiz, Farouq Emam, Pratama, Mohammad Rizki Fadhil
Published 2022

In silico discovery of multi-targeting inhibitors for the COVID-19 treatment by molecular docking, molecular dynamics simulation studies, and ADMET predictions

by Hasan, Aso Hameed, Hussen, Narmin Hamaamin, Shakya, Sonam, Jamalis, Joazaizulfazli, Mohammad Rizki Fadhil Pratama, Mohammad Rizki Fadhil Pratama, Chander, Subhash, Kharkwal, Harsha, Murugesan, Sankaranarayanan
Published 2022

Design, synthesis, anti-acetylcholinesterase evaluation and molecular modelling studies of novel coumarin-chalcone hybrids.

by Hasan, Aso Hameed, Shakya, Sonam, Hussain, Faiq H.S., Murugesan, Sankaranarayanan, Chander, Subhash, Pratama, Mohammad Rizki Fadhil, Jamil, Shajarahtunnur, Das, Basundhara, Biswas, Subhrajit, Jamalis, Joazaizulfazli
Published 2023

Novel thiophene Chalcones-Coumarin as acetylcholinesterase inhibitors: Design, synthesis, biological evaluation, molecular docking, ADMET prediction and molecular dynamics simulati...

by Hasan, Aso Hameed, Murugesan, Sankaranarayanan, Amran, Syazwani Itri, Chander, Subhash, Alanazi, Mohammed M., Hadda, Taibi Ben, Shakya, Sonam, Pratama, Mohammad Rizki Fadhil, Das, Basundhara, Biswas, Subhrajit, Jamalis, Joazaizulfazli
Published 2022