In Silico ADMET Studies, Molecular Docking and MolecularDynamics Simulation of Thiadiazole Derivatives for the Identificationof Putative HsaA Monooxygenase Inhibitors
All these findings demonstrated that AK05 and AK13 could be used as potent compounds for the development of HsaA monooxygenase inhibitors.
Authors
- Pranay Wal (ORCID: https://orcid.org/0000-0002-6342-6290)
- Monica Gulati (ORCID: https://orcid.org/0000-0002-3644-5162)
- vishakha vishakha
- Ravi Rawat (ORCID: https://orcid.org/0000-0001-6510-1046)
- Ketki Rani (ORCID: https://orcid.org/0000-0002-2964-7380)
- Mohit Agarwal (ORCID: https://orcid.org/0000-0002-3934-560X)
- Tapan Behl (ORCID: https://orcid.org/0000-0003-0993-7708)
- Rajeev K. Singla (ORCID: https://orcid.org/0000-0002-3353-7897)
- Raghwendra R. Waghmode
- Amer M. Alanazi (ORCID: https://orcid.org/0000-0003-4172-8973)
- Ankush Kumar (ORCID: https://orcid.org/0000-0001-9024-3433)
- Bairong Shen (ORCID: https://orcid.org/0000-0003-2899-1531)
- Azmat Ali Khan (ORCID: https://orcid.org/0000-0001-5955-3783)
- Min Zheng (ORCID: https://orcid.org/0009-0008-4458-9159)
- Seema Ramniwas
Institutions
- Chandigarh University (IN)
- Lovely Professional University (IN)
- University of Technology Sydney (AU)
- Sichuan University (CN)
- King Saud University (SA)
- Shree Guru Gobind Singh Tricentenary University (IN)
- West China Hospital of Sichuan University (CN)
- Krishna Institute of Medical Sciences (IN)
- KR Mangalam University (IN)
- Amity University (AE)
- University of Petroleum and Energy Studies (IN)
Publication Details
- Journal
- Current Medicinal Chemistry
- Published
- 2025-04-04
- DOI
- https://doi.org/10.2174/0109298673346116250227101530
- Citations
- 2
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 3.01