An insight of FDA-approved drugs for the management of aging related disorder a in silico study

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.