{"title":"fda批准的治疗衰老相关疾病的药物:一项计算机研究","authors":"Tong-jie Yang, Quan Wan, PENG-PENG Wen","doi":"10.32383/appdr/152839","DOIUrl":null,"url":null,"abstract":"Skeletal muscle (SM) is a most complex and plastic tissues of the human body. Movement, postural support, breathing, and thermogenesis are important functions of SM. Muscle mass reduction is a common side effect of human aging. The growth factor myostatin (MSTN) appears to play a key role in aging-related muscle function decreases. Targeting MSTN might help people live longer by preventing SM alterations associated with aging. Therefore, in the present study, FDA-approved drugs (from 2015 to 2020, total 273 drugs) were screened against MSTN to find the best drugs against MSTN for the management of aging disease. In this regards, Screening, docking, and molecular dynamics simulation was used. Based on structure-based virtual screening and free energy of bind, we select the top five drugs as mentioned in this article. Two drugs were analyzed in-depth namely, Sonidegib and Revefenacin showing free energy of binding -10.95 and -12.03 kcal/mol respectively with MSTN. Further, these complex was forwarded for molecular dynamics simulation to check the structural stability during 100ns, which was found to be more stable. As a concluding remark, Sonidegib and Revefenacin can be considered for further designing of new drugs against MSTN for the treatment aging related disorders.","PeriodicalId":7147,"journal":{"name":"Acta poloniae pharmaceutica","volume":null,"pages":null},"PeriodicalIF":0.4000,"publicationDate":"2022-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"An insight of FDA-approved drugs for the management of aging related disorder a in silico study\",\"authors\":\"Tong-jie Yang, Quan Wan, PENG-PENG Wen\",\"doi\":\"10.32383/appdr/152839\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Skeletal muscle (SM) is a most complex and plastic tissues of the human body. Movement, postural support, breathing, and thermogenesis are important functions of SM. Muscle mass reduction is a common side effect of human aging. The growth factor myostatin (MSTN) appears to play a key role in aging-related muscle function decreases. Targeting MSTN might help people live longer by preventing SM alterations associated with aging. Therefore, in the present study, FDA-approved drugs (from 2015 to 2020, total 273 drugs) were screened against MSTN to find the best drugs against MSTN for the management of aging disease. In this regards, Screening, docking, and molecular dynamics simulation was used. Based on structure-based virtual screening and free energy of bind, we select the top five drugs as mentioned in this article. Two drugs were analyzed in-depth namely, Sonidegib and Revefenacin showing free energy of binding -10.95 and -12.03 kcal/mol respectively with MSTN. Further, these complex was forwarded for molecular dynamics simulation to check the structural stability during 100ns, which was found to be more stable. As a concluding remark, Sonidegib and Revefenacin can be considered for further designing of new drugs against MSTN for the treatment aging related disorders.\",\"PeriodicalId\":7147,\"journal\":{\"name\":\"Acta poloniae pharmaceutica\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.4000,\"publicationDate\":\"2022-11-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta poloniae pharmaceutica\",\"FirstCategoryId\":\"3\",\"ListUrlMain\":\"https://doi.org/10.32383/appdr/152839\",\"RegionNum\":4,\"RegionCategory\":\"医学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"PHARMACOLOGY & PHARMACY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta poloniae pharmaceutica","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.32383/appdr/152839","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHARMACOLOGY & PHARMACY","Score":null,"Total":0}
An insight of FDA-approved drugs for the management of aging related disorder a in silico study
Skeletal muscle (SM) is a most complex and plastic tissues of the human body. Movement, postural support, breathing, and thermogenesis are important functions of SM. Muscle mass reduction is a common side effect of human aging. The growth factor myostatin (MSTN) appears to play a key role in aging-related muscle function decreases. Targeting MSTN might help people live longer by preventing SM alterations associated with aging. Therefore, in the present study, FDA-approved drugs (from 2015 to 2020, total 273 drugs) were screened against MSTN to find the best drugs against MSTN for the management of aging disease. In this regards, Screening, docking, and molecular dynamics simulation was used. Based on structure-based virtual screening and free energy of bind, we select the top five drugs as mentioned in this article. Two drugs were analyzed in-depth namely, Sonidegib and Revefenacin showing free energy of binding -10.95 and -12.03 kcal/mol respectively with MSTN. Further, these complex was forwarded for molecular dynamics simulation to check the structural stability during 100ns, which was found to be more stable. As a concluding remark, Sonidegib and Revefenacin can be considered for further designing of new drugs against MSTN for the treatment aging related disorders.
期刊介绍:
The international journal of the Polish Pharmaceutical Society is published in 6 issues a year. The journal offers Open Access publication of original research papers, short communications and reviews written in English, in all areas of pharmaceutical sciences. The following areas of pharmaceutical sciences are covered: Analysis, Biopharmacy, Drug Biochemistry, Drug Synthesis, Natural Drugs, Pharmaceutical Technology, Pharmacology and General.
A bimonthly appearing in English since 1994, which continues “Acta Poloniae Pharmaceutica”, whose first issue appeared in December 1937. The war halted the activity of the journal’s creators. Issuance of “Acta Poloniae Pharmaceutica” was resumed in 1947. From 1947 the journal appeared irregularly, initially as a quarterly, then a bimonthly. In the years 1963 – 1973 alongside the Polish version appeared the English edition of the journal. Starting from 1974 only works in English are published in the journal. Since 1995 the journal has been appearing very regularly in two-month intervals (six books a year). The journal publishes original works from all fields of pharmacy, summaries of postdoctoral dissertations and laboratory notes.