Ameliorative Role of In-Silico Study in Phytoconstituents of Cordyceps Used for PCOS

YMER Digital Pub Date : 2022-07-29 DOI:10.37896/ymer21.07/a2
Arvind Kumar, Rishu Yadav, Preeti Avasthi, S. Thakur
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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.
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冬虫夏草抗多囊卵巢综合征植物成分的硅化研究
背景:多囊卵巢综合征(PCOS)是一种异质性内分泌疾病,全世界每15个女孩中就有1个受到影响。这是一种主要的疾病,其特征是男性荷尔蒙(雄激素)、痤疮和多毛。目的:用硅片法研究冬虫夏草中不同化合物对靶蛋白活性位点的影响。(3 ruk)。方法:采用计算机辅助药物计划原则,在较短的时间和较低的预算范围内,促进虫草衍生药物的发现。计算机辅助药物设计技术与实验验证的结合有助于新药物的有利可图的发现。结果:结果表明,所有配体对人类细胞色素P450 CYP17A1受体具有较强的结合亲和力,其对接评分值与1,6-二-o-葡萄糖(- 12.172)异槲皮苷酸(-11.366)等分子的对接评分相当。结论:计算机辅助药物设计技术可以影响多靶点药物设计,对虫草中不同化合物进入靶蛋白活性位点进行了计算机研究。(3 ruk)。化合物1,6-二酰葡萄糖与人类细胞色素P450 cyp17a1受体的亲和力最高(对接评分= -12.172)。冬虫夏草中其他不同的化合物也有很好的dock分数。关键词:PCOS,硅,细胞色素P450 CYP17A1,蛋白,配体
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