in silico ADMET Screening of Compounds Present in Cyanthillium cinereum (L.) H. Rob.
Jayagopal Dharani, Subban Ravi · Asian Journal of Chemistry · 2020
Drug development involves assessment of absorption, distribution, metabolism, excretion and toxicity (ADMET) increasingly earlier in the discovery process. in silico ADMET studies are expected to reduce the risk of late-stage attrition of drug development and to optimize screening and testing by looking at only the promising compounds. To this end, several in silico approaches for predicting ADMET properties of compounds from their chemical structure have been developed, ranging from data-based approaches. In this study, ADMET prediction has been done for 20 compounds from the plant Cyanthillium cinereum extracts. Some of the compounds were predicted to be non-toxic.