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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

    Shaik Harun Rasheed1, Ravi Kumar Vakkalagadda1, Sayyad Mustak1, Sandip Sen1★★ Corresponding author

    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; Revised: 31-08-2023; Accepted: 12-09-2023.

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

    View on Pharmacogn. Res. original site ↗

    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 byin silicoapproaches 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 silicostudy 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. (). 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