Drug likeness, physicochemical properties, and in silico ADMET study of 4-hydroxy isoleucine

 

INTRODUCTION

4-Hydroxy isoleucine (4HiL), an amino
acid from Trigonella foenum-graecum
increases glucose dependent insulin
secretion via a direct effect without
associated harm to other islet cells.
✓ It counters insulin resistance in muscles
and liver by activation of insulin
receptor substrate-associated
phosphoinositide-3 kinase activity.
✓ Therefore, an attractive molecule for the
treatment of metabolic syndrome, type 2
diabetes, obesity, and dyslipidemia.
✓ However, its pharmacokinetic and
safety profiles are not reported
completely.

 

METHODOLOGY

 

This work was focuses on detailed
understanding of drug discovery interplay
among physicochemical and
pharmacokinetic properties of including
toxicity endpoints.
Following are the techniques applied:
✓ Drug likeness
✓ Physicochemical properties
✓ Medicinal chemistry
✓ BOILEDEGG graph
✓ Oral bioavailability radar chart
✓ hERG toxicity
✓ Toxicity parameters

 

CONCLUSION
✓ 4-Hydroxy isoleucine has satisfactory physicochemical properties and
medicinal chemistry.
✓ The pharmacokinetic profile is in the favour of oral bioavailability,
efficient distribution to all tissues including the brain, and noninterruptive drug metabolism, with moderate clearance and half-life.
✓ Even it is undesirable for this molecule to disturb some of the most
important receptors/targets such as gonadal receptors, p53, heat shock
factor, mitochondrial membrane potential, or PPAR-γ.
✓ No more wait for clinical trials development.