02559nas a2200265 4500008004100000024000700041245014500048210006900193260001800262300001200280490000700292520168800299653002401987653002002011653002302031653002002054653002202074653002002096653002302116100002602139700003002165700001902195700001602214856006302230 2023 eng d a2100aIn silico Based Virtual Screening of Non-polar Phytochemicals obtained From Petroleum Ether Extract of Asparagus racemosus by GC-MS Analysis0 aIn silico Based Virtual Screening of Nonpolar Phytochemicals obt cDecember 2023 a161-1710 v163 a

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.

10aAsparagus racemosus10aDrug likeliness10aGas chromatography10aIn silico study10aMass spectroscopy10aPetroleum ether10aTarget prediction.1 aRasheed, Shaik, Harun1 aVakkalagadda, Ravi, Kumar1 aMustak, Sayyad1 aSen, Sandip uhttps://www.phcogres.com/article/2023/16/1/105530pres16121