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

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第一作者： Shopnil,Akash

第一单位： Department of Pharmacy, Faculty of Allied Health Sciences, Daffodil International University, Dhaka, Bangladesh.

作者： Shopnil,Akash ^[1] ; Arafat,Hossain ^[2] ; Nobendu,Mukerjee ^[3] ; Md Moklesur Rahman,Sarker ^[4] ; Mohammad Firoz,Khan ^[5] ; Md Jamal,Hossain ^[5] ; Mohammad A,Rashid ^[6] ; Ajoy,Kumer ^[7] ; Arabinda,Ghosh ^[8] ; Darwin A,León-Figueroa ^[9] ; Joshuan J,Barboza ^[10] ; Bijaya Kumar,Padhi ^[11] ; Ranjit,Sah ^[12]

作者单位： Department of Pharmacy, Faculty of Allied Health Sciences, Daffodil International University, Dhaka, Bangladesh. ^[1] Department of Biochemistry and Molecular Biology, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Bangladesh. ^[2] Department of Microbiology, West Bengal State University, Kolkata, West Bengal, India.;Department of Health Sciences, Novel Global Community Educational Foundation, Hebersham, NSW, Australia. ^[3] Health Med. Science Research Network, Dhaka, Bangladesh.;Department of Pharmacy, State University of Bangladesh, Dhaka, Bangladesh. ^[4] Department of Pharmacy, State University of Bangladesh, Dhaka, Bangladesh. ^[5] Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Dhaka, Dhaka, Bangladesh. ^[6] Laboratory of Computational Research for Drug Design and Material Science, Department of Chemistry, European University of Bangladesh, Dhaka, Bangladesh. ^[7] Microbiology Division, Department of Botany, Gauhati University, Guwahati, Assam, India. ^[8] Facultad de Medicina Humana, Universidad de San Martín de Porres, Chiclayo, Peru. ^[9] Escuela de Medicina, Universidad Cesar Vallejo, Trujillo, Peru. ^[10] Department of Community Medicine, School of Public Health, Postgraduate Institute of Medical Education and Research, Chandigarh, India. ^[11] Institute of Medicine, Tribhuvan University Teaching Hospital, Kathmandu, Nepal.;Dr. D.Y Patil Medical College, Hospital and Research Centre, Pune, Maharashtra, India.;Green City Hospital, Tokha, Nepal. ^[12]

关键词 Black Fungus DFT Marburg virus Monkeypox QSAR admet molecular docking molecular dynamic simulation

DOI 10.3389/fphar.2023.1140494

PMID 37153804

发布时间 2023-05-09

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Frontiers in pharmacology

2023年14卷

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

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

Frontiers in pharmacology

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Frontiers in pharmacology

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