Title:Quantitative Measurement of Some Physico-Chemical Parameters for the Medicinally Useful Natural Products
VOLUME: 9 ISSUE: 7
Author(s):Koyel Kar, Aditya Sethi, D. Archana, S. Vasavi, P. Maheswari, P. Niranjini, L. Vimalacharitha, W. Prathyusha, V. Sai Thanuja, K. Sreejana Reddy, G. Rohith, Amnish Kumar, A. G. Damodar and B. R. Prashantha Kumar
Affiliation:Department of Pharmaceutical Chemistry, J.S.S. College of Pharmacy, Ootacamund 643 001 & Mysore 570 015, India.
Keywords:Lipinski’s rule of five, Physicochemical parameters, Druggability, Druglikliness, Natural products, Gibbs free energy, logP, Physicochemical parameters, pharmaceutical industry, combinatorial chemistry, high throughput screening techniques, ADME (absorption, distribution, metabolism, excretion), Lipinski’s RO5, semisynthetic modification, clogP & logP
Abstract:Lipinski’s rule of five is well received throughout the world and widely used as one of the basic filters to screen
ligands for their druggability. In this direction, we have studied 148 biologically active natural products which are
available as drugs. Physicochemical parameters such as molecular weight, logP, hydrogen bond donors, hydrogen bond
acceptors, number of aromatic rings, molar refractivity and Gibbs free energy were calculated. Statistical results reveal
that, they do fall under the Lipinski’s rule of 5 (RO5). The illustration about need for the study, methods followed and
results obtained are reported here.
