Open AccessActivity of Phytochemical Constituents of Black Pepper and Rosemary Against Zika Virus: An In silico Approach
Author(s) -
Dhanalakshmi Srinivasan,
M. Venkatesan
Publication year - 2021
Publication title -
letters in applied nanobioscience
Language(s) - English
Resource type - Journals
ISSN - 2284-6808
DOI - 10.33263/lianbs112.33933404
Subject(s) - piperine , phytochemical , zika virus , piper , traditional medicine , rosmarinus , biology , virology , pharmacology , virus , medicine , officinalis
Zika Virus is an emerging viral disease, and its outbreak rapidly affects human health worldwide. Many research findings are going on to find effective antiviral therapeutics for treating the Zika virus since there is no immunization or medications available in practice. In this study, the inhibitory potential of selected 72 phytochemicals derived from Piper nigrum and Salvia rosmarinus were tested against RNA-dependent RNA polymerase of ZIKV. The structure of NS5 RdRp was predicted using the SWISS-MODEL, and the structural stability was evaluated using GROMACS. Drug-likeness properties were predicted using SwissADME, MolSoft, and PreADMET servers. The results exhibited that 57 phytochemicals, i.e., 26 from Piper nigrum and 31 from Salvia rosmarinus showed effective drug-likeness. These phytochemicals were docked against predicted binding sites of RdRp ZIKV using AutoDock Vina, and pharmacokinetic properties were also analyzed. This investigation has revealed that out of 57 phytochemicals, Piperine (-7.6Kcal/mol) and Isoscutellarein (-7.4Kcal /mol) have shown significant inhibitory potential compared to those of these currently utilized antiviral drugs against ZIKV selected target. Thus our research findings strongly suggested that phytochemicals derived from Black pepper and rosemary could be beneficial against ZIKV.