000			a
999			_c15577 _d15577
003			OSt
005			20211124101222.0
008			211124b xxu||||| |||| 00| 0 eng d
040			_aAIKTC-KRRC _cAIKTC-KRRC
100			_914788 _aChitre, Trupti Sameer
245			_a Designing of Thiazolidin-4-one Pharmacophore using QSAR Studies for Anti-HIV Activity
250			_aVol.55(2), Apr-Jun
260			_aBanaglore _bAssociation of Pharmaceutical Teachers of India (APTI) _c2021
300			_a581-589p.
520			_aBackground and Aim: In an effort of drug development in the area of HIV, present work deals with development of 2D and 3D QSAR of thiazolidinone derivatives against HIV-RT activity as a powerful method for elucidation the relationships between structure and activity. Materials and Methods: 2D QSAR and 3D QSAR were performed using MLR and SA kNN method respectively. Models which had higher predictability were generated as indicated from their statistical parameters. Results and Discussion: Best models generated showed correlation coefficient r2= 0.9256 and q2 =0.8623 for 2D QSAR and q2 =0.8444 for 3D QSAR. The models indicated the requirement of electro topological, electrostatic and steric descriptors which would significantly contribute to HIV-RT inhibitory activity. Further a few compounds were designed using the outcome of QSAR studies.
650		0	_94639 _aPHARMACEUTICS
700			_914789 _aPatil, Shital Manoj
773	0		_x0019-5464 _tIndian journal of pharmaceutical education and research _dBengluru Association of Pharmaceutical Teachers of India (APTI)
856			_uhttps://www.ijper.org/sites/default/files/IndJPhaEdRes-55-2-581.pdf _yClick here
942			_2ddc _cAR