Modified coptisine derivatives as an inhibitor against pathogenic Rhizomucor miehei, Mycolicibacterium smegmatis (Black Fungus), Monkeypox, and Marburg virus by molecular docking and molecular dynamics simulation-based drug design approach

Modified coptisine derivatives as an inhibitor against pathogenic Rhizomucor miehei, Mycolicibacterium smegmatis (Black Fungus), Monkeypox, and Marburg virus by molecular docking and molecular dynamics simulation-based drug design approach

During the second phase of SARS-CoV-2, an unknown fungal infection, identified as black fungus, was transmitted to numerous people among the hospitalized COVID-19 patients and increased the death rate. The black fungus is associated with the Mycolicibacterium smegmatis, Mucor lusitanicus, and Rhizom...

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Bibliographic Details
Main Authors: Shopnil Akash, Arafat Hossain, Nobendu Mukerjee, Md. Moklesur Rahman Sarker, Mohammad Firoz Khan, Md. Jamal Hossain, Mohammad A. Rashid, Ajoy Kumer, Arabinda Ghosh, Darwin A. León-Figueroa, Joshuan J. Barboza, Bijaya Kumar Padhi, Ranjit Sah
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-04-01
Series:Frontiers in Pharmacology
Subjects:
Black Fungus
Monkeypox
Marburg virus
molecular docking
admet
QSAR
Online Access:https://www.frontiersin.org/articles/10.3389/fphar.2023.1140494/full

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