| An updated review of computer‐aided drug design and its application to COVID‐19 AB Gurung, MA Ali, J Lee, MA Farah, KM Al-Anazi BioMed research international 2021 (1), 8853056, 2021 | 169 | 2021 |
| Unravelling lead antiviral phytochemicals for the inhibition of SARS-CoV-2 Mpro enzyme through in silico approach AB Gurung, MA Ali, J Lee, MA Farah, KM Al-Anazi Life sciences 255, 117831, 2020 | 150 | 2020 |
| In silico structure modelling of SARS-CoV-2 Nsp13 helicase and Nsp14 and repurposing of FDA approved antiviral drugs as dual inhibitors AB Gurung Gene reports 21, 100860, 2020 | 75 | 2020 |
| Exploring the physicochemical profile and the binding patterns of selected novel anticancer Himalayan plant derived active compounds with macromolecular targets AB Gurung, A Bhattacharjee, MA Ali Informatics in Medicine Unlocked 5, 1-14, 2016 | 60 | 2016 |
| Molecular docking and dynamics simulation study of bioactive compounds from Ficus carica L. with important anticancer drug targets AB Gurung, MA Ali, J Lee, MA Farah, KM Al-Anazi Plos one 16 (7), e0254035, 2021 | 56 | 2021 |
| Significance of Ras signaling in cancer and strategies for its control AB Gurung, A Bhattacharjee Journal-Significance of Ras Signaling in Cancer and Strategies for its Control, 2015 | 35 | 2015 |
| Structure-based virtual screening of phytochemicals and repurposing of FDA approved antiviral drugs unravels lead molecules as potential inhibitors of coronavirus 3C-like … AB Gurung, MA Ali, J Lee, MA Farah, KM Al-Anazi Journal of King Saud University-Science 32 (6), 2845-2853, 2020 | 32 | 2020 |
| Molecular docking of the anticancer bioactive compound proceraside with macromolecules involved in the cell cycle and DNA replication AB Gurung, MA Ali, A Bhattacharjee, M AbulFarah, F Al-Hemaid, ... Genet. Mol. Res 15 (2), 1-7, 2016 | 32 | 2016 |
| In silico screening of FDA approved drugs reveals ergotamine and dihydroergotamine as potential coronavirus main protease enzyme inhibitors AB Gurung, MA Ali, J Lee, MA Farah, KM Al-Anazi Saudi Journal of Biological Sciences 27 (10), 2674-2682, 2020 | 29 | 2020 |
| Binding of small molecules at interface of protein–protein complex–A newer approach to rational drug design AB Gurung, A Bhattacharjee, MA Ali, F Al-Hemaid, J Lee Saudi journal of biological sciences 24 (2), 379-388, 2017 | 27 | 2017 |
| Identification of SARS-CoV-2 inhibitors from extracts of Houttuynia cordata Thunb. AB Gurung, MA Ali, J Lee, MA Farah, KM Al-Anazi, F Al-Hemaid Saudi Journal of Biological Sciences 28 (12), 7517-7527, 2021 | 26 | 2021 |
| In silico analyses of major active constituents of fingerroot (Boesenbergia rotunda) unveils inhibitory activities against SARS-CoV-2 main protease enzyme AB Gurung, MA Ali, F Al-Hemaid, M El-Zaidy, J Lee Saudi journal of biological sciences 29 (1), 65-74, 2022 | 22 | 2022 |
| Discovery of novel drug candidates for inhibition of soluble epoxide hydrolase of arachidonic acid cascade pathway implicated in atherosclerosis AB Gurung, B Mayengbam, A Bhattacharjee Computational biology and chemistry 74, 1-11, 2018 | 21 | 2018 |
| The potential of Paritaprevir and Emetine as inhibitors of SARS-CoV-2 RdRp AB Gurung, MA Ali, J Lee, MA Farah, KM Al-Anazi Saudi Journal of Biological Sciences 28 (2), 1426-1432, 2021 | 19 | 2021 |
| Human serum albumin reduces the potency of acetylcholinesterase inhibitor based drugs for Alzheimer's disease MM Islam, AB Gurung, A Bhattacharjee, K Aguan, S Mitra Chemico-Biological Interactions 249, 1-9, 2016 | 19 | 2016 |
| Molecular modelling studies unveil potential binding sites on human serum albumin for selected experimental and in silico COVID-19 drug candidate molecules AB Gurung, MA Ali, J Lee, MA Farah, KM Al-Anazi, H Sami Saudi Journal of Biological Sciences 29 (1), 53-64, 2022 | 16 | 2022 |
| Identification of molecular descriptors for design of novel Isoalloxazine derivatives as potential Acetylcholinesterase inhibitors against Alzheimer’s disease AB Gurung, K Aguan, S Mitra, A Bhattacharjee Journal of Biomolecular Structure and Dynamics 35 (8), 1729-1742, 2017 | 16 | 2017 |
| An in silico approach unveils the potential of antiviral compounds in preclinical and clinical trials as SARS-CoV-2 omicron inhibitors AB Gurung, MA Ali, MS Elshikh, I Aref, M Amina, J Lee Saudi Journal of Biological Sciences 29 (6), 103297, 2022 | 15 | 2022 |
| Correlation of cholinergic drug induced quenching of acetylcholinesterase bound thioflavin-T fluorescence with their inhibition activity MM Islam, MA Rohman, AB Gurung, A Bhattacharjee, K Aguan, S Mitra Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 189, 250-257, 2018 | 15 | 2018 |
| Identification of potential SARS-CoV-2 entry inhibitors by targeting the interface region between the spike RBD and human ACE2 AB Gurung, MA Ali, J Lee, MA Farah, KM Al-Anazi Journal of infection and public health 14 (2), 227-237, 2021 | 13 | 2021 |
Ajmal Alialimohammad@ksu.edu.saVerified email at ksu.edu.sa
