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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 24
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Research Article

Pharmacoinformatics and molecular dynamics simulation approach to identify anti-diarrheal potentials of Centella asiatica (L.) Urb. against Vibrio cholerae

Abdullah Al-Mamuna Department of Genetic Engineering and Biotechnology, Faculty of Biological Sciences, University of Chittagong, Chattogram, BangladeshView further author information
,
Ishtiaque Ahammadb Bioinformatics Division, National Institute of Biotechnology, Dhaka, BangladeshORCID Iconhttps://orcid.org/0000-0003-0473-7803View further author information
ORCID Icon,
Sheikh Sunzid Ahmedc Department of Botany, Faculty of Biological Sciences, University of Dhaka, Dhaka, BangladeshView further author information
,
Farzana Akterc Department of Botany, Faculty of Biological Sciences, University of Dhaka, Dhaka, BangladeshView further author information
,
Shah Imran Hossaina Department of Genetic Engineering and Biotechnology, Faculty of Biological Sciences, University of Chittagong, Chattogram, BangladeshView further author information
,
Zeshan Mahmud Chowdhuryb Bioinformatics Division, National Institute of Biotechnology, Dhaka, BangladeshORCID Iconhttps://orcid.org/0000-0002-6263-4960View further author information
ORCID Icon,
Arittra Bhattacharjeeb Bioinformatics Division, National Institute of Biotechnology, Dhaka, BangladeshORCID Iconhttps://orcid.org/0000-0001-6019-3797View further author information
ORCID Icon,
Keshob Chandra Dasd Molecular Biotechnology Division, National Institute of Biotechnology, Dhaka, BangladeshView further author information
,
Chaman Ara Keyae Department of Biochemistry and Microbiology, North South University, Dhaka, BangladeshView further author information
&
Md Salimullahd Molecular Biotechnology Division, National Institute of Biotechnology, Dhaka, BangladeshCorrespondence[email protected]
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Pages 14730-14743 | Received 13 Dec 2022, Accepted 07 Mar 2023, Published online: 16 Mar 2023

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Prasanna Sarmah, Parthapratim Konwar, Jadumoni Saikia, Twinkle Borah, Jitendra Singh Verma & Dipanwita Banik. (2023) Screening of potent inhibitor from Aquilaria malaccensis Lam. against arachidonic inflammatory enzymes: an insight from molecular docking, ADMET, molecular dynamics simulation and MM-PBSA approaches. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-15.
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