Related Experiment Video
Updated: Jul 17, 2026

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
Published on: December 1, 2020
Comparative molecular active site analysis (CoMASA). 1. An approach to rapid evaluation of 3D QSAR
Takayuki Kotani1, Kunihiko Higashiura
1Institute of Bio-Active Science, Nippon Zoki Pharmaceutical Company Ltd., Kinashi, Yashiro-cho, Kato-gun, Hyogo 673-1461, Japan. t-kotani@nippon-zoki.co.jp
Abstract:
We have developed a rapid evaluation method, comparative molecular active site analysis (CoMASA), for obtaining 3D QSAR. CoMASA has three major advantages: (1) the CoMASA results would easily transform to pharmacophore and/or queries required for 3D database searches, (2) the CoMASA method is not required to consider orientation and translation of molecules against a lattice, and (3) standard PCs can be used to perform the analysis. The potential of these improvements and possible further enhancements are discussed.
Related Concept Videos
Conserved Binding Sites
Binding sites are often located in large pockets, and if their location on a protein’s surface is unknown, it can be predicted using various approaches. The energetic method computationally analyses the...
Ligand Binding and Linkage
Structure-Activity Relationships and Drug Design
SAR studies the intricate relationship between a drug's chemical structure and biological activity. It focuses on understanding how modifications to a drug's structure can influence its...

