CHAPERON: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analyses.

Molecular dynamics (MD) simulation is a powerful computational tool used in biomolecular studies to investigate the dynamics, energetics, and interactions of a wide range of biological systems at the atomic level. GROMACS is a widely used free and open-source biomolecular MD simulation software recognized for its efficiency, accuracy, and extensive range of simulation options. However, the complexity of setting up, running, and analyzing MD simulations for diverse systems often poses a significant challenge, requiring considerable time, effort, and expertise.

Antidiarheal activity of catechol and ethyl 5, 8,11,14,17 - icosapentanoate-rich fraction of stem bark.

Background And Aim: Secretory diarrhea is the most common type of diarrhea. This study aimed at exploring the possible mechanism of antisecretory action of Annona senegalensis stem bark and to identify the bioactive compounds.

Experimental Procedure: The ability of three crude extract; aqueous, dichloromethane and hexane stem bark extracts to inhibit castor oil-induced stooling in albino rats were assessed.

Synergistic enhancement of rat intestinal alkaline phosphatase activity by taurine and sodium butyrate protects against endotoxin-induced bowel inflammation.

The effect of sodium butyrate (SB) and taurine on rat intestinal alkaline phosphatase (RIA) and the effect of the interaction of taurine and/or SB with bacterial lipopolysaccharides on ALP activity were investigated. In vitro analysis of the activity of RIA was carried out using various concentrations of SB and/or taurine. Substrate concentration-dependent kinetic study was performed at 1-10 mM of taurine and SB at 5.

Blood pressure and sugar regulating potentials of nut globulin and albumin hydrolysates.

Several novel functional peptides have been successfully extracted from plant storage proteins. This study investigated the degree of hydrolysis, peptide yield, amino acid constituents, angiotensin converting enzyme (ACE), alpha amylase inhibitory and antioxidant activities of cashew () nut proteins (CNP) hydrolysates (CNPHs). Cashew nut proteins (albumin and globulin) were hydrolysed using pancreatin, Alcalase and trypsin.

In vitro Angiotesin-1-converting enzyme, α-amylase and α-glucosidase inhibitory and antioxidant activities of (L.) M. Roem seed protein hydrolysate.

In recent times, researchers have explored food derived peptides to circumvent the side effects of synthetic drugs. This study therefore examined the amino acid constituents, antioxidant activities, angiotensin-1-converting enzyme (ACE), α-glucosidase and α-amylase inhibition kinetics of protein hydrolysate obtained from the seed of . The peptide yield by pepsin (16.