FT-IR, Acoustic, Thermodynamic and Docking Study of a Drug in a Peptide

Abstract

Peptides have a wide range of application in medicine and biotechnology. They regulate most physiological process, acting at some sites as endocrine or paracrine signals and at others as neurotransmitter or growth factors. Ultrasonic studies of solutions yield valuable information about the molecular interactions, the nature and strength of interactions since the ultrasonic velocity is highly sensitive to molecular structure. The ultrasonic velocity (U), density (ρ) and viscosity (h) measurements have been carried out for peptide with fixed concentration of the sulfa drug in non -aqueous solution of ternary mixture at different temperatures. Experimental data have been used to estimate the internal pressure (πi) and free volume (Vf). The results are discussed in terms of interionic/ intermolecular interaction.To study the biological activity of the investigation molecule, molecular docking was done to identify the hydrogen bond lengths and binding energy with different antimicrobial protein. In the present investigation, ternary system of peptide solutions are carried out and an attempt is made to corroborate the ultrasonic, antimicrobial and docking study.