Quantitative Measurement of Some Physico-Chemical Parameters for the Medicinally Useful Natural Products

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; B.      R. Prashantha Kumar

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.

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