Molecular docking
3 articles · search the full text for this term
-
Synthesis, computational analysis and biological evaluation of novel thiazolidinone derivatives
Abstract: Through multicomponent methods including 2-chloroquinoline-3-carbaldehyde,(1- methylpiperidin-4-yl) methanamine and thioglycolic acid, the work focuses on creating and assessing the antibacterial characteristics of a new 4-thiazolidinone heterocyclic. Spectral testing was used to validate the molecules' structures. All the compounds were screened for their antibacterial and antifungal activity using Agar-well diffusion; compared to the reference drugs such as Ampicillin, Ciprofloxacin, and Griseofulvin, the examined compounds demonstrated moderate to good efficacy, with inhibition zone …
Published in International Journal of Analytical and Applied Chemistry · Vol. 11, Issue 2, 2025 · pp. 30–40 Read article
-
Possible drugs for Huntington’s disease from Capsicum annuum developed using molecular docking against Huntington protein
Abstract: Objective: To evaluate the efficacy of Capsicum annuum as a suitable plant for the treatment of Huntington’s disease using Pyrx. Huntington’s disease results in the damage of the nervous system over a period of time. For this study, we take into consideration Capsaicin, a compound obtained from the fruit of Capsicum annuum (bell pepper) responsible for giving the fruit it’s pungent odor. Studies show that Capsaicin plays a crucial role …
Published in International Journal of Animal Biotechnology and Applications · Vol. 9, Issue 2, 2023 · pp. 27–29 Read article
-
Synthesis of 2-(2,3-dichlorophenyl)-5-(substituted)-1,3,4-Oxadiazole Microcrystals by Solvothermal Method and Assessment of in vitroAntibacterial with Docking and in vivo Larvicidal Efficiency with Comprehensive Toxicological Studies
Abstract: 2,5-Disubstituted 1,3,4-oxadiazole compounds are among the most beneficial organic molecules of biological importance. In the current research, a new series of 2-(2,3-dichlorophenyl)-5-(substituted)-1,3,4-oxadiazole compounds have been synthesized solvothermally from derivatives of2,3-dichloro-N'-(substituted)benzohydrazide and Chloramine-T as an oxidizing agent using autoclave with good yield. The obtained products are micro-sized (5µm–20µm) crystals confirmed through SEM. The structures of synthesized compounds were confirmed through IR, 1H-NMR, 13C-NMR, mass Spectroscopy, Elementary analysis. Molecular docking study shows …
Published in International Journal of Nanomaterials and Nanostructures · Vol. 6, Issue 1, 2020 · pp. 29–44 Read article