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Structural insight to hydroxychloroquine-3C-like proteinase complexation from SARS-CoV-2: inhibitor modelling study through molecular docking and MD-simulation study.
Mukherjee, Soumita; Dasgupta, Subrata; Adhikary, Tapasendra; Adhikari, Utpal; Panja, Sujit Sankar.
Affiliation
  • Mukherjee S; Department of Chemistry, National Institute of Technology-Durgapur, Durgapur, West Bengal, India.
  • Dasgupta S; Department of Chemistry, National Institute of Technology-Durgapur, Durgapur, West Bengal, India.
  • Adhikary T; Department of Metallurgical & Materials Engineering, Indian Institute of Technology, Kharagpur, West Bengal, India.
  • Adhikari U; Department of Chemistry, National Institute of Technology-Durgapur, Durgapur, West Bengal, India.
  • Panja SS; Department of Chemistry, National Institute of Technology-Durgapur, Durgapur, West Bengal, India.
J Biomol Struct Dyn ; 39(18): 7322-7334, 2021 11.
Article in En | MEDLINE | ID: mdl-32772895
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: COVID-19 Drug Treatment / Hydroxychloroquine Limits: Humans Language: En Journal: J Biomol Struct Dyn Year: 2021 Document type: Article Affiliation country: India Country of publication: United kingdom
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: COVID-19 Drug Treatment / Hydroxychloroquine Limits: Humans Language: En Journal: J Biomol Struct Dyn Year: 2021 Document type: Article Affiliation country: India Country of publication: United kingdom