Screening Meliaceae derived Phytochemicals against RNA- Dependent RNA-Polymerase of Flavivirids through Computer Aided Protocols | [Abstract Book on Second International Conference on Recent Approaches in Plant Sciences (RAPS-23) 4-5 May 2023 • 2023]

Author(s):

1. Arooj Arshad: Department of Life Sciences, School of Science, University of Management and Technology, Lahore 54770, Pakistan

2. Tayyaba Shafique: Department of Chemistry, School of Science, University of Management and Technology, Lahore 54700, Pakistan

3. Maria Wahid: Research Center for Modeling and Simulation (RCMS), National University of Sciences and Technology (NUST), Islamabad, 44000, Pakistan

4. Rehan Zafar Paracha: Research Center for Modeling and Simulation (RCMS), National University of Sciences and Technology (NUST), Islamabad, 44000, Pakistan

5. Muhammad Ali: Department of Life Sciences, School of Science, University of Management and Technology, Lahore 54770, Pakistan

6. Muhammad Sohail Afzal: Department of Life Sciences, School of Science, University of Management and Technology, Lahore 54770, Pakistan

Abstract:

Flavivirids are single stranded, positive sense RNA viruses that belong to family Flaviviridae. Being responsible for ever evolving diseases and various health problems, flavivirids are big threat to world's health. Therefore, solution in the form of drugs designed through phytochemicals, can serve as effective agents to fight against flavivirids by inhibiting their reproduction and growth. In order to analyze the phytochemicals from the family meliaceae against the RNAdependent RNA-Polymerase protein of the type species from each genus of family Flaviviridae, in silico analysis was carried out. This in silico analysis was based upon the selection and screening through ADMET analysis, modelling and validation of targeted proteins, molecular docking, and the prediction of transition energies of the selected phytochemicals through DFT analysis. Significant number of phytochemicals came forward as potential inhibitors of the targeted protein. However, out of these potential inhibitors, four phytochemicals were highlighted to have efficient results against the protein of interest. Primarily, this study doesn't only infer the phytochemicals from family Meliaceae as potential inhibitors but also expedite the way to validate the screened compounds through in vivo and in vitro analysis.

Page(s): 36-36

DOI: DOI not available

Published: Journal: Abstract Book on Second International Conference on Recent Approaches in Plant Sciences (RAPS-23) 4-5 May 2023 , Volume: 0, Issue: 0, Year: 2023

Keywords:

Dengue Virus , Dengue virus , CADD , Hepacivirus , In silico analysis , NS5B

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