Quantitative Structure-Activity-Amino Acid Relationship of Benzodiazepines and Thienodiazepine via Molecular Docking Simulation
The above QSAAR model identifies GLN1239, SER1240, THR1242, and VAL1247 as significant contributors to activity with an R-value of 0.77. Therefore, these interacting amino acids are responsible for the compounds' agonistic activity.
Authors
- Sisir Nandi (ORCID: https://orcid.org/0000-0002-9960-6584)
- Shweta Verma (ORCID: https://orcid.org/0000-0003-2883-6910)
- Ankita Sharma (ORCID: https://orcid.org/0009-0005-9223-5660)
Institutions
- Indian Institute of Management Kashipur (IN)
- IFTM University (IN)
Publication Details
- Journal
- Current Drug Discovery Technologies
- Published
- 2025-10-27
- DOI
- https://doi.org/10.2174/0115701638402019251007071229
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00