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In silico Based Virtual Screening of Non-polar Phytochemicals obtained From Petroleum Ether Extract of Asparagus racemosus by GC-MS Analysis

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  1. 1School of Pharmacy, Guru Nanak Institutions Technical Campus, Khanapur, Ibrahimpatnam, Telangana, INDIA.

CORRESPONDENCE

Sandip Sen

School of Pharmacy, Guru Nanak Institutions Technical Campus, Khanapur, Ibrahimpatnam, Telangana, INDIA.

sandipsen2010@gmail.com

Received: 13-07-2023; Accepted: 12-09-2023.

Volume 16, Issue 1 · pp. 161-171 · 2023 · DOI: 10.5530/pres.16.1.21

ABSTRACT

Background: Evidence shows that people have used medicinal plants and plant components to treat various conditions since ancient times. Asparagus racemosus have a wide range of therapeutic potential Antioxidant, anti-cancer, anti-fungal, anti-bacterial, and anti-inflammatory.Aim and Objectives: The current study sought to identify potential bioactive molecules present in the petroleum ether extract of Asparagus racemosus.Materials and Methods: The presence of different molecules was identified by Gas Chromatography. Mass spectroscopy and FTIR analysis confirmed the molecular structure. The identified molecule was analyzed for drug likeliness, bioactivity, and target prediction analysis by in silico approaches using Swiss ADME, Swiss target prediction, Oasis datawarior, and mole inspiration software.Results: The petroleum ether extract is the highest source of alkaloids and steroids. The molecule (5.beta.) Pregnane-3,20, beta.-diol, 14.alpha.,1, 8. alpha.-[4-methyl-3-oxo-(1-oxa-4-azabutane-1,4-diyl)]- diacetate was found in the highest concentration (37.33%). The identified molecule is steroidal. The in silico study exhibited good drug likeliness and therapeutic potential for the reported molecule. The molecule can be considered a potential therapeutic agent for the treatment of cancer and analgesic anti-inflammatory agents.Conclusion: The molecule (5.beta.) Pregnane-3, 20. beta.-diol, 14.alpha.,1, 8. alpha.- [4-methyl-3-oxo-(1-oxa-4-azabutane-1,4-diyl)]-,diacetate can be considered as poteintial therapeutic agent.

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    Rasheed, S. H., Vakkalagadda, R. K., Mustak, S., & Sen, S. (2023). In silico Based Virtual Screening of Non-polar Phytochemicals obtained From Petroleum Ether Extract of Asparagus racemosus by GC-MS Analysis. Pharmacognosy Research, 16(1), 161-171. https://doi.org/10.5530/pres.16.1.21

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    © 2023 Author(s)

    This is an open access article distributed under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike 4.0 License, which allows others to remix, tweak, and build upon the work non-commercially, as long as the author is credited and the new creations are licensed under the identical terms. CC BY-NC-SA 4.0