Shaik Harun Rasheed, Sayyad Mustak, Chandan Mohanty, Ravi Kumar Vakkalagadda, Sandip Sen
{"title":"通过气相色谱-质谱(GC-MS)分析从天门冬氯仿提取物中获得的潜在生物活性化合物的多受体靶向性:一种基于硅学的方法","authors":"Shaik Harun Rasheed, Sayyad Mustak, Chandan Mohanty, Ravi Kumar Vakkalagadda, Sandip Sen","doi":"10.14233/ajchem.2024.31671","DOIUrl":null,"url":null,"abstract":"Previous reports indicate that the medicinal plants and their components have been utilized for treating diverse conditions since antiquity. Asparagus racemosus, in particular, demonstrates a broad spectrum of therapeutic possibilities. This study aimed to underscores the potential bioactive compounds found within the chloroform extract of Asparagus racemosus. Gas-chromatography employed to identify the presence of various molecules, while mass spectrometry and FTIR analysis validated their molecular structures. The molecules were analyzed to assess its suitability as a therapeutic candidate, their biological activity and predicted targets using in silico techniques. The chloroform extract stands out as the richest reservoir of carbohydrates and steroidal alkaloids. Molecule (5β)-pregnane-3,20β-diol, 14α,18α-[4-methyl-3-oxo-(1-oxa-4-azabutane-1,4-diyl)]diacetate was found in the highest concentration (42.28 %). The identified molecule is a steroidal alkaloid in nature and the computational analysis revealed promising drug-like properties and therapeutic potential for the investigated molecule.","PeriodicalId":8494,"journal":{"name":"Asian Journal of Chemistry","volume":"29 20","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Multi Receptor Targeting of Potential Bioactive Compound Obtained from Chloroform Extract of Asparagus racemosus by GC-MS Analysis: A in silico Based Approach\",\"authors\":\"Shaik Harun Rasheed, Sayyad Mustak, Chandan Mohanty, Ravi Kumar Vakkalagadda, Sandip Sen\",\"doi\":\"10.14233/ajchem.2024.31671\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Previous reports indicate that the medicinal plants and their components have been utilized for treating diverse conditions since antiquity. Asparagus racemosus, in particular, demonstrates a broad spectrum of therapeutic possibilities. This study aimed to underscores the potential bioactive compounds found within the chloroform extract of Asparagus racemosus. Gas-chromatography employed to identify the presence of various molecules, while mass spectrometry and FTIR analysis validated their molecular structures. The molecules were analyzed to assess its suitability as a therapeutic candidate, their biological activity and predicted targets using in silico techniques. The chloroform extract stands out as the richest reservoir of carbohydrates and steroidal alkaloids. Molecule (5β)-pregnane-3,20β-diol, 14α,18α-[4-methyl-3-oxo-(1-oxa-4-azabutane-1,4-diyl)]diacetate was found in the highest concentration (42.28 %). The identified molecule is a steroidal alkaloid in nature and the computational analysis revealed promising drug-like properties and therapeutic potential for the investigated molecule.\",\"PeriodicalId\":8494,\"journal\":{\"name\":\"Asian Journal of Chemistry\",\"volume\":\"29 20\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-07-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Asian Journal of Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.14233/ajchem.2024.31671\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"Chemistry\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Asian Journal of Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.14233/ajchem.2024.31671","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"Chemistry","Score":null,"Total":0}
Multi Receptor Targeting of Potential Bioactive Compound Obtained from Chloroform Extract of Asparagus racemosus by GC-MS Analysis: A in silico Based Approach
Previous reports indicate that the medicinal plants and their components have been utilized for treating diverse conditions since antiquity. Asparagus racemosus, in particular, demonstrates a broad spectrum of therapeutic possibilities. This study aimed to underscores the potential bioactive compounds found within the chloroform extract of Asparagus racemosus. Gas-chromatography employed to identify the presence of various molecules, while mass spectrometry and FTIR analysis validated their molecular structures. The molecules were analyzed to assess its suitability as a therapeutic candidate, their biological activity and predicted targets using in silico techniques. The chloroform extract stands out as the richest reservoir of carbohydrates and steroidal alkaloids. Molecule (5β)-pregnane-3,20β-diol, 14α,18α-[4-methyl-3-oxo-(1-oxa-4-azabutane-1,4-diyl)]diacetate was found in the highest concentration (42.28 %). The identified molecule is a steroidal alkaloid in nature and the computational analysis revealed promising drug-like properties and therapeutic potential for the investigated molecule.