IN SILICO PHARMACOLOGICAL AND IN VITRO BIOLOGICAL STUDY OF NOVEL ORGANOTINSORBATEAbstract
In this research work, a well established method was used to synthesize of stannane of 2, 4-hexadienoic acid and its characterization was carried using ultraviolet (UV)-visible and 1H NMR (nuclear magnetic resonance). Our research aimed at developing a potent multi-target drug which could act as antibacterial agent and also peroxisome proliferator-activated receptor gamma (PPAR γ) agonists that is having the potential to activate the PPAR γ. In vitro antibacterial study was carried out against, Staphylococcus aureus (gram positive) and Escherichia coli 1610 (gram negative) using ‘well diffusion method’. It was followed by in silico docking studies, using computational software iGemDock v2.1 tool and its effect on glycemic and lipid parameter was also studied. Pharmacokinetic properties were studied using pkCSM software developed by the University of Cambridge. Drug likeness study and all the specifications were tested with the help of Molinspiration Molecule Viewer software available online. It was observed that the stannane of 2, 4-hexadienoic acid inhibited the bacterial growth of Staphylococcus aureus (gram positive) and Escherichia coli 1610 (gram negative). The complex has shown good docking results on almost all the receptors, with interaction supporting the fitting of the drug to the target molecules. The novel complex has shown good antibacterial activity both in vitro and in in silico studies. It was also found to be a potent PPAR γ agonist. The Organotinsorbate did not contravene the ‘Lipinski׳s rule of five’ hence it has the prospective for ultimate development as oral agents.
A. Gupta*, R. B. Aniyery and A. Pathak
Amity Institute of Applied Science, Amity University, Noida, Uttar Pradesh, India.
26 February, 2017
08 June, 2017
08 July, 2017
01 October, 2017