Quantitative Measurement of Some Physico-Chemical Parameters for the Medicinally Useful Natural Products
V. Sai Thanuja,
K. Sreejana Reddy,
A. G. Damodar,
B. R. Prashantha Kumar.
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
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