Theoretical study of azetidine derivative by quantum chemical methods, molecular docking and molecular dynamic simulations

P Sinha, AK Yadav - ChemistrySelect, 2023 - Wiley Online Library
Azetidine substituent group has a wide range of application in organic chemistry and
medical field. In this study, a novel azetidine derivative and its reaction mechanism has been …

Synthesis, biological evaluation and computational studies of pyrazole derivatives as Mycobacterium tuberculosis CYP121A1 inhibitors

LA Alshabani, A Kumar, SJ Willcocks… - RSC Medicinal …, 2022 - pubs.rsc.org
A series of imidazole and triazole diarylpyrazole derivatives were prepared using an efficient
5-step synthetic scheme and evaluated for binding affinity with Mycobacterium tuberculosis …

Targeting Mycobacterium tuberculosis: Synthesis, in vitro and in silico evaluation of novel N1‐(benzo[d]oxazol‐2‐yl)‐N4‐arylidine compounds

AG Zawal, MM Abdel‐Aziz… - Archiv der …, 2023 - Wiley Online Library
The development of novel antimycobacterial agents is an urgent challenge to eradicate the
increasing emergence and rapid spread of multidrug‐resistant strains. Filamentous …

Exploring Proteus mirabilis Methionine tRNA Synthetase Active Site: Homology Model Construction, Molecular Dynamics, Pharmacophore and Docking Validation

SS Elbaramawi, AG Eissa, NA Noureldin, C Simons - Pharmaceuticals, 2023 - mdpi.com
Currently, the treatment of Proteus mirabilis infections is considered to be complicated as the
organism has become resistant to numerous antibiotic classes. Therefore, new inhibitors …

Synthesis, antimicrobial activity, molecular docking and MD simulation studies, in silico ADME investigations and thermo-acoustic studies of heterocyclic …

AH Saiyad, DR Godhani, UP Mehta, KP Parmar… - Journal of Molecular …, 2025 - Elsevier
The connections between the chemical structures and antibacterial properties of different
functional groups including organic molecules were examined in this study. we have …

[PDF][PDF] Theoretical Study of Azetidine Derivative by Spectroscopic Investigation, Structural-Topological Study, Charge Analysis and Molecular Docking Studies

P Sinha, AK Yadav - Structural-Topological Study, Charge Analysis and … - papers.ssrn.com
Azetidine substituent group has a wide range of application in organic chemistry and
medical field. In this study, a novel azetidine derivative and its reaction mechanism has been …