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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/1333
Title: Structure-function insights into chikungunya virus capsid protein: Small molecules targeting capsid hydrophobic pocket
Authors: Sharma R.
Kesari P.
Kumar P.
Tomar S.
Published in: Virology
Abstract: The crystal structure of chikungunya (CHIKV) virus capsid protease domain has been determined at 2.2 Å. Structure reveals a chymotrypsin-like protease fold with a conserved hydrophobic pocket in CHIKV capsid protein (CP) for interaction with the cytoplasmic tail of E2 (cdE2) similar to the capsid protein of other alphaviruses. Molecular contacts between CP-cdE2 were determined by fitting structures of CHIKV CP and cdE2 into the cryo-EM map of Venezuelan equine encephalitis virus (VEEV). Binding of (S)-(+)-Mandelic acid (MDA) and Ethyl 3-aminobenzoate (EAB) to the hydrophobic pocket of CP was evaluated by molecular docking. Surface plasmon resonance (SPR) and fluorescence spectroscopy experiments confirmed MDA and EAB binding to the CP. The binding constants (KD) obtained from SPR for MDA and EAB were 1.2 × 10?3 M and 0.2 × 10?9 M, respectively. This study adds to the understanding of chikungunya virus structural proteins and may serve as the basis for antiviral development against chikungunya disease. © 2017 Elsevier Inc.
Citation: Virology(2018), 515(): 223-234
URI: https://doi.org/10.1016/j.virol.2017.12.020
http://repository.iitr.ac.in/handle/123456789/1333
Issue Date: 2018
Publisher: Academic Press Inc.
Keywords: Alphavirus
Capsid protein
Chikungunya
Hydrophobic pocket
Surface plasmon resonance
ISSN: 426822
Author Scopus IDs: 57209347974
56604951200
55064809000
57203506001
Author Affiliations: Sharma, R., Department of Biotechnology, Indian Institute of Technology Roorkee, Roorkee, 247667, India
Kesari, P., Department of Biotechnology, Indian Institute of Technology Roorkee, Roorkee, 247667, India
Kumar, P., Department of Biotechnology, Ind
Funding Details: ST acknowledges the financial support from Indian Council of Medical Research (ICMR: Ref no. BIC/12(26)/2013 ). Department of Biotechnology (DBT) is acknowledged by RS for his Senior Research Fellowship (SRF). Ministry of Human Resource Development (MHRD)
Corresponding Author: Tomar, S.; Department of Biotechnology, Indian Institute of Technology RoorkeeIndia; email: shailfbt@iitr.ac.in
Appears in Collections:Journal Publications [BT]

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