De Novo Design of Cathepsin B1 Inhibitors as Potential Anti-Schistosomal Agents Using Computational Studies.

Abdulrahim Altoam Alzain Fatima A Elbadwi

Published in: Advances and applications in bioinformatics and chemistry : AABC (2022)

inhibitors by targeting SmCB1 utilizing various computational tools. Three newly designed compounds namely breed 1, 2, and 3 showed promising affinity to the target as well as favorable drug-like properties which might be considered potential anti-schistosomal agents.

Keyphrases

human health
emergency department
risk assessment
mass spectrometry
drug induced