Letters in Drug Design & Discovery

G. Perry
University of Texas
San Antonio, TX
Email: lddd@benthamscience.org


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

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, 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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Article Details

Year: 2012
Page: [706 - 730]
Pages: 25
DOI: 10.2174/157018012801319427
Price: $58