Molecular Docking Analysis of Reduced Hydrazones of Isoniazid
Payal K. Kadu & Jagruti M. Barabde*
Department of Chemistry, Sant Gadge Baba Amravati Univeristy, Amravati, Maharashtra, India
E-mail: payalkadu22@gmail.com jagrutidhore@sgbau.ac.in
Abstract
Tuberculosis remains a major global health challenge, necessitating the development of novel therapeutic agents. In this study, molecular docking analysis was performed using PyRx software to evaluate the binding interactions between the 1ZID protein, a key tuberculosis drug target and reduced bishydrazones of isoniazid and dialdehydes derived from salicylaldehyde. The docking results demonstrated that reduced hydrazones with a spacer of four-carbon chain exhibited the highest binding affinity, emphasizing the role of chain length of spacer in ligand-protein interactions. These findings provide valuable insights into the structural optimization of isoniazid derivatives, potentially enhancing their anti-tuberculosis efficacy.
Keywords: 1ZID, Isoniazid, Hydrazones, etc.
DOI link – https://doi.org/10.69758/GIMRJ/2504I5VXIIIP0029
Download