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100			_915144 _a BASHEERA, SHEFIN
245			_aAnti-Tuberculosis Activity in Punica granatum: In silico Validation and Identification of Lead Molecules
250			_aVol.83(2), March-April
260			_aMumbai _bIndian Journal of Pharmaceutical Science _c2021
300			_a316-330p.
520			_aDiscovery of novel drug against tuberculosis is inevitable since resistant bacterial strains are evolved against existing drugs and rapidly active single drug in short period is necessary for e ffective treatment. When compared to synthetic drugs, natural drugs particularly phytochemicals induce less side e ffects and long term stability. In Indian traditional medicine, several plant species have been used for treating tuberculosis and each plant species contains a plethora of phytochemicals. The e fficacy of such treatment system and identification of the phytochemical with drug activity from plants has been seldom investigated scienti fically. In this backdrop, the authors have validated the e fficacy of anti-tuberculosis activity and identi fied lead molecule from a widely used plant species against several disease including tuberculosis, viz Punica granatum L. The four promising target proteins viz mycolyltransferase antigen protein 85C involved in cord factor synthesis, filamentous temperature sensitive protein Z involved in bacterial cell division, pantothenate kinase involved in co-enzyme A pathway and decaprenylphosphoryl β-D-ribofuranose-2 epimerase involved in the synthesis of virulent factor arabinan were docked with 243 phytochemicals derived fromPunica granatum. The docked molecules having binding energy≤-6 kcal/ mol were considered as active/hit molecules. The docked results showed that out of 243 phytochemicals, 126 have inhibitory activity on all selected target proteins. Further docking study using Glide and absorption, distribution, metabolism, excretion and toxicity studies revealed that the compound derived from the flowers, pomegranate can be recommended as the best lead compound against tuberculosis.
650		0	_94639 _aPHARMACEUTICS
700			_915145 _aSIVANANDAN, S.
773	0		_dNew Delhi _tIndian journal of pharmaceutical sciences
856			_uhttps://www.ijpsonline.com/articles/antituberculosis-activity-in-empunica-granatum-in-silicoem-validation-and-identification-of-lead-molecules.pdf _yClick here
942			_2ddc _cAR