000			a
999			_c9077 _d9077
003			OSt
005			20190523134311.0
008			190523b xxu||||| |||| 00| 0 eng d
040			_aAIKTC-KRRC _cAIKTC-KRRC
100			_98725 _aSharma, Shikha
245			_aMolecuar docking study of six pyrimidine derivatives as egfr (epidermal growth factor receptor) and CA IX (carbonic anhydrase IX) inhibitor
250			_aVol. 2(3)
260			_aM P _bInnovare Academic Sciences Pvt Ltd _c2019
300			_a66-71p.
520			_aObjective: The present study was carried out to discover whether these pyrimidine derivatives have the potential to be used as epidermal growth factor receptor (EGFR ) and carbonic anhydrase ( CA ) IX inhibitors through structure -based in silico study. Method s: Docking was performed on 6 pyrimidine analog s; cetuximab and curcumin were taken as refere nce drug. The s tructure of the target protein retrieved from the RCSB Protein databank and the p rotein -ligand docking was performed using Pyrx AutoDock wizard with MGL tools 1.5.6 by using Lamarckian algorithm. Result s: All the compounds have shown lower binding energy and inhibition constant (Ki) value than reference drug cetuximab and curcumin. Out of the 6 inhibitors analyzed vkh has shown minimum binding energy against the target protein EGFR and CA IX respectively . Smaller Ki value shows stronger interaction. The scoring value of the interaction of vkh i. e -10.74 and -9.93 K cal/mol and Ki 13.17 ɳ M and 53.04 ɳ M against the target protein EGFR and CA IX respectively while the reference drug c etuximab has shown binding energy -6.09 Kcal/mol with Ki value 34.44 μ M and curcumin has shown binding energy -6.02 kcal/mol with Ki value 38.60 μM.
650		0	_94639 _aPHARMACEUTICS
700			_98726 _aShukla, V. J
773	0		_x0975 – 1491 _tInternational journal of pharmacy and pharmaceutical science _dBhopal Innovare Academic Sciences Pvt Ltd
856			_uhttps://innovareacademics.in/journals/index.php/ijpps/article/view/31183/19402 _yClick here
942			_2ddc _cAR