Open Accessin silico ADMET Screening of Compounds Present in Cyanthillium cinereum (L.) H. Rob.
Author(s) -
Jayagopal Dharani,
Subban Ravi
Publication year - 2020
Publication title -
asian journal of chemistry/asian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.145
H-Index - 34
eISSN - 0975-427X
pISSN - 0970-7077
DOI - 10.14233/ajchem.2020.22569
Subject(s) - in silico , chemistry , computational biology , drug development , drug discovery , drug , pharmacology , biochemistry , biology , gene
Drug development involves assessment of absorption, distribution, metabolism, excretion and toxicity(ADMET) increasingly earlier in the discovery process. in silico ADMET studies are expected toreduce the risk of late-stage attrition of drug development and to optimize screening and testing bylooking at only the promising compounds. To this end, several in silico approaches for predictingADMET properties of compounds from their chemical structure have been developed, ranging fromdata-based approaches. In this study, ADMET prediction has been done for 20 compounds from theplant Cyanthillium cinereum extracts. Some of the compounds were predicted to be non-toxic.