Targeting ebola virus VP40 protein through novel inhibitors: exploring the structural and dynamic perspectives on molecular landscapes.

Khan, Shama; Fakhar, Zeynab; Ahmad, Aijaz

Khan, Shama; Fakhar, Zeynab; Ahmad, Aijaz.

Affiliation

Khan S; Department of Clinical Microbiology and Infectious Diseases, School of Pathology, University of the Witwatersrand, Johannesburg, 2193, South Africa.
Fakhar Z; Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Johannesburg, 2193, South Africa.
Ahmad A; Department of Clinical Microbiology and Infectious Diseases, School of Pathology, University of the Witwatersrand, Johannesburg, 2193, South Africa. Aijaz.Ahmad@wits.ac.za.

J Mol Model ; 27(2): 49, 2021 Jan 25.

Article in En | MEDLINE | ID: mdl-33495861

Subject(s)

Molecular Dynamics Simulation; Nucleoproteins/antagonists & inhibitors; Nucleoproteins/chemistry; Viral Core Proteins/antagonists & inhibitors; Viral Core Proteins/chemistry; Amino Acids/metabolism; Humans; Inhibitory Concentration 50; Ligands; Molecular Docking Simulation; Protein Stability; RNA/chemistry; RNA/metabolism; Thermodynamics

Key words

Ebola virus; Ebola virus disease; Hemorrhagic fever; Molecular dynamics simulations; VP40 inhibition

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Viral Core Proteins / Molecular Dynamics Simulation / Nucleoproteins Limits: Humans Language: En Journal: J Mol Model Journal subject: BIOLOGIA MOLECULAR Year: 2021 Type: Article Affiliation country: South Africa

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