Pharmaceutical manifestation of Knoevenagel condensed metal (II) complexes through virtual, in vitro and in vivo assessments.

Autor: Michael S; Research Department of Chemistry, VHNSN College, Virudhungar, India.; Department of Chemistry, PSR Engineering College, Sivakasi, India., Jeyaraman P; Post Graduate and Research Department of Chemistry, The Standard Fireworks Rajaratnam College for Women (Autonomous), Sivakasi, India., Marimuthu B; Department of Chemistry, Sri Ramasamy Naidu Memorial College, Sattur, India., Rajamanikam R; Research Department of Chemistry, VHNSN College, Virudhungar, India., Thanasamy R; Department of Chemistry, Saiva Bhanu Kshatriya College, Aruppukottai, India., Arunsunai Kumar K; Research Department of Chemistry, VHNSN College, Virudhungar, India., Mitu L; Department of Chemistry, University of Pitesti, Pitesti, Romania., Raman N; Research Department of Chemistry, VHNSN College, Virudhungar, India.
Jazyk: angličtina
Zdroj: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Jan 08, pp. 1-15. Date of Electronic Publication: 2024 Jan 08.
DOI: 10.1080/07391102.2023.2301059
Abstrakt: Sulphur containing compounds possess a great deal of interest due to wide range of beneficial activities towards biotic species. This work also deals with the study of biological examination of newly synthesized sulphur containing Cu(II) and Zn(II) complexes derived from (E)-4-(phenylimino)-3-((E)-1-(phenylimino)ethyl)pent-2-ene-1-thiol Schiff bases. Moreover, the DNA nuclease efficiency of the synthesized metal complexes is studied by UV absorption studies, Fluorescence studies, Viscosity and CV titrations which confirm the intercalative mode of binding. Pharmacokinetic studies and drug like activity of these compounds are screened with the help of SWISS ADME online freeware. Their morphological nature is corroborated by various spectral techniques. Optimized geometry and biologically accessible nature of the synthesized compounds are investigated by Gaussian 09 W software. Interestingly, molecular docking studies are carried out against cancer DNA and 6J10 cancer cell. Anti-inflammatory and in vitro antioxidant activities have been studied to validate the theoretical prediction. Based on these preliminary pharmacological activities, the in vitro cytotoxicity and in vivo antitumor activities are examined using MCF-7, HeLa, Hep-2, HepG-2 and Ehrlich ascites carcinoma (EAC) cell lines. All the above examinations reveal that the nitro substituted transition metal complexes possess higher biological bustle.Communicated by Ramaswamy H. Sarma.
Databáze: MEDLINE