Arvind Kumar, Rishu Yadav, Preeti Avasthi, S. Thakur
{"title":"Ameliorative Role of In-Silico Study in Phytoconstituents of Cordyceps Used for PCOS","authors":"Arvind Kumar, Rishu Yadav, Preeti Avasthi, S. Thakur","doi":"10.37896/ymer21.07/a2","DOIUrl":null,"url":null,"abstract":"Background: Polycystic ovarian syndrome (PCOS) is a heterogeneous endocrine disease that impacts about one in 15 girls worldwide. It is a major sickness characterized through multiplied ranges of male hormones (androgens), acne and hirsutism. Objective: In silico study of different compounds from Cordyceps into active site of the target protein. (3RUK). Methods: Computer-aided drug plan principles should enhance the discovery of putative Cordyceps-derived medication inside much less time and low budget. The integration of computer-aided drug design techniques with experimental validation has contributed to the profitable discovery of novel drugs. Results: Results indicated that all the ligands have a strong binding affinity for the Human Cytochrome P450 CYP17A1 receptor as indicated by their docking score values that were found to be comparable with the docking score of the molecules1,6-di-o-glloyl-d-glucose (- 12.172) Isoquercitrin acid (-11.366) etc. Conclusion: It has been concluded that computer-aided drug design techniques could influence the multiple target-focused drug design, In silico studies were performed on the different compounds from Cordyceps into active site of the target protein. (3RUK). Compound 1,6-dio-glloyl-d-glucose was found to have highest affinity towards the Human Cytochrome P450 CYP17A1receptor(docking score = -12.172). Other different compounds from Cordyceps have also good dock scores. Keywords: PCOS, In-silico, Cytochrome P450 CYP17A1, Protein, Ligand.","PeriodicalId":23848,"journal":{"name":"YMER Digital","volume":"28 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2022-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"YMER Digital","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.37896/ymer21.07/a2","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
Background: Polycystic ovarian syndrome (PCOS) is a heterogeneous endocrine disease that impacts about one in 15 girls worldwide. It is a major sickness characterized through multiplied ranges of male hormones (androgens), acne and hirsutism. Objective: In silico study of different compounds from Cordyceps into active site of the target protein. (3RUK). Methods: Computer-aided drug plan principles should enhance the discovery of putative Cordyceps-derived medication inside much less time and low budget. The integration of computer-aided drug design techniques with experimental validation has contributed to the profitable discovery of novel drugs. Results: Results indicated that all the ligands have a strong binding affinity for the Human Cytochrome P450 CYP17A1 receptor as indicated by their docking score values that were found to be comparable with the docking score of the molecules1,6-di-o-glloyl-d-glucose (- 12.172) Isoquercitrin acid (-11.366) etc. Conclusion: It has been concluded that computer-aided drug design techniques could influence the multiple target-focused drug design, In silico studies were performed on the different compounds from Cordyceps into active site of the target protein. (3RUK). Compound 1,6-dio-glloyl-d-glucose was found to have highest affinity towards the Human Cytochrome P450 CYP17A1receptor(docking score = -12.172). Other different compounds from Cordyceps have also good dock scores. Keywords: PCOS, In-silico, Cytochrome P450 CYP17A1, Protein, Ligand.