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Published 2014-02-27 Published on SciPeople2014-07-08 13:24:14 JournalComputers in Biology and Medicine

Revealing pharmacodynamics of medicinal plants using in silico approach: A case study with wet lab validation
Singh D., Gawande D., Singh T., Poroikov V., Goel R.K. / Vladimir Poroikov
Computers in Biology and Medicine, 2014, 47 (1), 1-6
Abstract Exploration of therapeutic mechanism is an integral part of medicinal plant based drug discovery for better understanding of pharmacological behavior of these agents. But,its study using conventional hit and trial wet laboratory experiments proves to be very tedious, time consuming and expensive,thus encouraging development of in silico techniques. Hence,an in silico technique has been devised using a computer software Prediction of Activity Spectra for Substances (PASS) to study pharmacodynamics of medicinal plants. The technique has been presented with a case study using Ficus religiosa L. (Moraceae) in which its anticonvulsant mechanism has been elucidated with PASS and further validated experimentally.

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