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Arun Bahadur Gurung
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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
1452020
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, 2021
1352021
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
692020
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
532016
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
422021
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
332015
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
312016
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
272020
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
262020
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
242017
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
232021
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
202022
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
192018
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
192016
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
182021
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
162017
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
142018
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
132022
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
132021
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
102022
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