Vitamin D3: A possible Anti-Sars-CoV molecule?
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1
,
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2
,
3
,
Juliana Silva Lemões
4
1
Dentist by Universidade Federal de Pelotas, Pelotas (Rio Grande do Sul), Brasil
2
Doctor in Physiological Sciences by Universidade Federal do Rio Grande - FURG, Rio Grande (Rio Grande do Sul), Brasil
3
Doctor in Health Sciences by Universidade Federal do Rio Grande - FURG, Professor at Instituto-Federal-Sul-Riograndense, Jaguarão (Rio Grande do Sul), Brasil
4
Doctor in Chemistry by Universidade Federal do Rio Grande do Sul – UFRGS, Professor at Universidade Federal do Pampa, Bagé (Rio Grande do Sul), Brasil
Published:
21 September 2020
by
MDPI
in
MOL2NET'20, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 6th ed.
congress
BIOMEDIT-01; ITCs & Biomol. Biomed. Eng. Workshop, Lund, Sweden, Chengdu, China, New Orleans, USA, 2020
https://doi.org/10.3390/mol2net-06-06940
(registering DOI)
Abstract: Vitamin D3 (VitD) has several biological activities and some studies demonstrate its possible correlation with better prognosis in COVID-19 disease. The Sars-CoV-2 or new coronavirus is responsible for the current and serious pandemic of COVID-19. One of the main proteins involved in the infection process of the host cell is the Spike protein and its blocking could have preventive and therapeutic actions. The objective of this work was to verify the ability of binding, through molecular docking, VitD with the Spike protein. Docking performed with AutoDockVina demonstrated that the binding between VitD and Spike occurs with a binding energy of -7.1 Kcal/mol and through 12 hydrophobic connections. So, at the molecular level, VitD's interaction with Spike could inhibit this viral protein and act as an Anti-Sars-CoV molecule. To confirm this evidence demonstrated by the docking, it is necessary to continue the studies in vitro and in vivo.
Keywords: new coronavirus; in vitro; in vivo; Spike protein.
