基于分子对接、分子动力学模拟、DFT、ADMET和药物相似性评估的真菌赖氨酸脱乙酰酶Rpd3潜在靶点鉴定

{"title":"基于分子对接、分子动力学模拟、DFT、ADMET和药物相似性评估的真菌赖氨酸脱乙酰酶Rpd3潜在靶点鉴定","authors":"Sanket Rathod, Diksha Bhande, Swaranjali Pawar, Kondba Gumphalwad, P. Choudhari, H. More","doi":"10.1007/s42250-023-00766-5","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":29956,"journal":{"name":"Chemistry Africa-A Journal of the Tunisian Chemical Society","volume":null,"pages":null},"PeriodicalIF":2.3000,"publicationDate":"2023-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Identification of Potential Hits against Fungal Lysine Deacetylase Rpd3 via Molecular Docking, Molecular Dynamics Simulation, DFT, In-Silico ADMET and Drug-Likeness Assessment\",\"authors\":\"Sanket Rathod, Diksha Bhande, Swaranjali Pawar, Kondba Gumphalwad, P. Choudhari, H. More\",\"doi\":\"10.1007/s42250-023-00766-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\",\"PeriodicalId\":29956,\"journal\":{\"name\":\"Chemistry Africa-A Journal of the Tunisian Chemical Society\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.3000,\"publicationDate\":\"2023-08-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemistry Africa-A Journal of the Tunisian Chemical Society\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1007/s42250-023-00766-5\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemistry Africa-A Journal of the Tunisian Chemical Society","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1007/s42250-023-00766-5","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}