Molecular dynamic simulations reveal anti-SARS-CoV-2 activity of mitocurcumin by potentially blocking innate immune evasion proteins NSP3 and NSP16.

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Title: Molecular dynamic simulations reveal anti-SARS-CoV-2 activity of mitocurcumin by potentially blocking innate immune evasion proteins NSP3 and NSP16.
Authors: Pal D; Radiation Biology and Health Sciences Division, Bio-science Group, Bhabha Atomic Research Centre, Trombay, Mumbai, 400085, India.; Homi Bhabha National Institute, Mumbai, 400094, India., Checker R; Radiation Biology and Health Sciences Division, Bio-science Group, Bhabha Atomic Research Centre, Trombay, Mumbai, 400085, India.; Homi Bhabha National Institute, Mumbai, 400094, India., Kutala VK; Department of Clinical Pharmacology and Therapeutics, Nizam's Institute of Medical Sciences, Hyderabad, Telangana, India., Sandur SK; Radiation Biology and Health Sciences Division, Bio-science Group, Bhabha Atomic Research Centre, Trombay, Mumbai, 400085, India. sskumar@barc.gov.in.; Homi Bhabha National Institute, Mumbai, 400094, India. sskumar@barc.gov.in.
Source: Molecular diversity [Mol Divers] 2023 Apr; Vol. 27 (2), pp. 635-649. Date of Electronic Publication: 2022 May 10.
Publication Type: Journal Article
Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE
Database: MEDLINE Ultimate
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ISSN:1573-501X
DOI:10.1007/s11030-022-10443-3