Ontology highlight
ABSTRACT:
SUBMITTER: Kumar D
PROVIDER: S-EPMC7452467 | biostudies-literature | 2020 Aug
REPOSITORIES: biostudies-literature
Kumar Durgesh D Meena Mahendra Kumar MK Kumari Kamlesh K Patel Rajan R Jayaraj Abhilash A Singh Prashant P
Heliyon 20200824 8
Literature reported that nsp3 of CHIKV is an important target for the designing of drug as it involves in the replication, survival etc. Herein, about eighteen million molecules available in the ZINC database are filtered against nsp3 using RASPD. Top five hit drug molecules were then taken from the total screened molecules (6988) from ZINC database. Then, a one pot-three components reaction is designed to get the pyrazolophthalazine and its formation was studied using DFT method. Authors create ...[more]