Designing, physiochemical confirmation, evaluation of biological and in-silico potential of Triorganotin(IV) complexesy

FTIR, NMR, CHN and single crystal X-ray crystallography were used to validate a series of three new tri-organotin(IV) carboxylate complexes, R3Sn(L) for R = Methyl ( 1 ), n-Butyl ( 2 ) and Phenyl ( 3 ), obtained from LH = 4-[(2,5-dimethoxyphenyl )carbamoyl]butanoic acid. The coupling constant and theta C-Sn-C values in solution-state NMR data suggest a 5-coordinated environment around the Sn centre. In the crystal of 1 , the carboxylate is bidentate bridging leading to a zigzag chain with the Sn centre having a dis-torted trigonal-bipyramidal geometry. The compounds were evaluated for their interaction with salmon sperm DNA and found that they interact through an intercalative mode resulting in hypochromism and bathochromic shift as confirmed by the UV-visible spectroscopic and viscometric techniques. The findings of anti-microbial activity performed on five bacterial and two fungus strains demonstrate that some of the compounds exhibit > 80% inhibition of certain bacteria and > 100% inhibition of certain fungal strains. The compounds were also evaluated for cell viability tested on human embryonic kidney cell (HEC-239) and human red blood cells (RBC). The anti-cancer potential of the compounds was assessed using cis-platin as a standard against human malignant glioma U87 (MG-U87) cell lines, and 1 was shown to be the most potent (IC50: 148.979 mu M) at a 50 mu M dose. The DPPH anti-oxidant activity results revealed a 91% maximum scavenging activity for 1 . The compounds follow the principles of drug-likeness and have good bioavailability potential, according to an in silico analysis conducted using the SwissADME web-server.(C) 2022 Elsevier B.V. All rights reserved.

Automated summary

In this study, a series of new tri-organotin(IV) carboxylate complexes were validated using various techniques. The compounds exhibited antimicrobial activity and anticancer potential through interactions with DNA, and they also met the requirements of drug-likeness.