Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by 'in-silico' simulation study

Shovonlal Bhowmick; Tapan Kumar Mistri; Mohammad Rizwan Khan; Pritee Chunarkar Patil; Rosa Busquets; Abu Md Ashif Ikbal; Ankita Choudhury; Dilip Kumar Roy; Partha Palit; Achintya Saha

doi:10.1080/07391102.2023.2238065

Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by 'in-silico' simulation study

Shovonlal Bhowmick
, Tapan Kumar Mistri
, Mohammad Rizwan Khan
, Pritee Chunarkar Patil
, Rosa Busquets
, Abu Md Ashif Ikbal
, Ankita Choudhury
, Dilip Kumar Roy
, Partha Palit
, Achintya Saha

Research output: Contribution to journal › Article › peer-review

Original language	English
Journal	Journal of Biomolecular Structure and Dynamics
Early online date	24 Jul 2023
DOIs	https://doi.org/10.1080/07391102.2023.2238065
Publication status	E-pub ahead of print - 24 Jul 2023

Bibliographical note

Note: The authors would like to thank the Researchers Supporting Project number (RSP2023R138), King Saud University, Riyadh, Saudi Arabia and ICMR, Govt. of India, Extramural Project funding (Ref.-59/03/TRM/2020/BMS).

Keywords

Biological sciences

Access to Document

10.1080/07391102.2023.2238065

https://doi.org/10.1080/07391102.2023.2238065

Cite this

Bhowmick, S., Mistri, T. K., Khan, M. R., Patil, P. C., Busquets, R., Ashif Ikbal, A. M., Choudhury, A., Roy, D. K., Palit, P., & Saha, A. (2023). Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by 'in-silico' simulation study. Journal of Biomolecular Structure and Dynamics. Advance online publication. https://doi.org/10.1080/07391102.2023.2238065

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keywords = "Biological sciences",

author = "Shovonlal Bhowmick and Mistri, \{Tapan Kumar\} and Khan, \{Mohammad Rizwan\} and Patil, \{Pritee Chunarkar\} and Rosa Busquets and \{Ashif Ikbal\}, \{Abu Md\} and Ankita Choudhury and Roy, \{Dilip Kumar\} and Partha Palit and Achintya Saha",

note = "Note: The authors would like to thank the Researchers Supporting Project number (RSP2023R138), King Saud University, Riyadh, Saudi Arabia and ICMR, Govt. of India, Extramural Project funding (Ref.-59/03/TRM/2020/BMS).",

year = "2023",

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day = "24",

doi = "10.1080/07391102.2023.2238065",

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Bhowmick, S, Mistri, TK, Khan, MR, Patil, PC, Busquets, R, Ashif Ikbal, AM, Choudhury, A, Roy, DK, Palit, P & Saha, A 2023, 'Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by 'in-silico' simulation study', Journal of Biomolecular Structure and Dynamics. https://doi.org/10.1080/07391102.2023.2238065

Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by 'in-silico' simulation study. / Bhowmick, Shovonlal; Mistri, Tapan Kumar; Khan, Mohammad Rizwan et al.
In: Journal of Biomolecular Structure and Dynamics, 24.07.2023.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors

T2 - interpretation by 'in-silico' simulation study

AU - Bhowmick, Shovonlal

AU - Mistri, Tapan Kumar

AU - Khan, Mohammad Rizwan

AU - Patil, Pritee Chunarkar

AU - Busquets, Rosa

AU - Ashif Ikbal, Abu Md

AU - Choudhury, Ankita

AU - Roy, Dilip Kumar

AU - Palit, Partha

AU - Saha, Achintya

N1 - Note: The authors would like to thank the Researchers Supporting Project number (RSP2023R138), King Saud University, Riyadh, Saudi Arabia and ICMR, Govt. of India, Extramural Project funding (Ref.-59/03/TRM/2020/BMS).

PY - 2023/7/24

Y1 - 2023/7/24

KW - Biological sciences

U2 - 10.1080/07391102.2023.2238065

DO - 10.1080/07391102.2023.2238065

M3 - Article

SN - 0739-1102

JO - Journal of Biomolecular Structure and Dynamics

JF - Journal of Biomolecular Structure and Dynamics

ER -

Bhowmick S, Mistri TK, Khan MR, Patil PC, Busquets R, Ashif Ikbal AM et al. Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by 'in-silico' simulation study. Journal of Biomolecular Structure and Dynamics. 2023 Jul 24. Epub 2023 Jul 24. doi: 10.1080/07391102.2023.2238065