EVALUATION OF THE PHARMACOPHORIC ACTIVITY OF DIFFERENT COMPOUNDS OBTAINED BY GC-MS IN AQUEOUS EXTRACT OF LAWSONIA ALBAAbstract
Most of the medications currently in use are largely derived from the traditional plants and their products. Lawsonia alba, often known as henna, has a wide range of medicinal uses, from minor infections to cancer and is also used as a hair dye. All of these pharmacological actions and therapeutic uses are because of the presence of numerous secondary metabolites. These were isolated using the GC-MS technique from the aqueous extract of L. alba leaves. The compounds were then analyzed for pharmacokinetics and pharmacodynamics by using SwissADME, OPENBABEL, Swiss target prediction, etc., like software. In the aqueous extract of L. alba, we obtained 91 compounds; out of these 38 were significant, but only 09 compounds were in prominent concentration, and all of these 09 compounds were non-toxic, they are orally absorbable molecules with acceptable lipophilic and hydrophilic nature which were subjected to various software to obtain the target protein that can dock with specific properties of modulating various proteins/receptors/enzymes and these compounds or their derivatives can be considered as a “hit” or “lead” molecules and can be used further for pre-clinical studies.
Simhadri V. S. D. N. A. Nagesh *, K. K. Bairagi and Sudhir Modala
Department of Pharmacology, Shri Ram Murti Smarak Institute of Medical Sciences, Bareilly, Uttar Pradesh, India.
12 March 2022
03 May 2022
28 May 2022
01 November 2022