International Journal of Scientific and Research Publications

IJSRP, Volume 7, Issue 8, August 2017 Edition [ISSN 2250-3153]


Computer assisted drug designing : Quantitative structure Activity Relationship studies on mono- and Bis- Thiazolium salts having Potent antimalarial activity
      Dr. Pallavi Tiwari, Dr. V.K. Singh
Abstract: Quantitative structure-activity Relationship QSAR model is based on changes in molecular structure that would reflect changes in observed biological activity or physicochemical property. In the present work QSAR studies have been performed on 18 compounds of mono and Bis-Thiazolium salts and valuable correlations are obtained. Three new series of 24 novel cationic choline analogues and consisting of mono or bis (N-Or C-5 duplicated) thiazolium salts. Thiazolium salts showed potent antimalarial activity (Much Superior to monothiazoliums). Various QSAR models have been developed by using multiple linear regression analysis methodology. Randic index have been calculated for analysis. Valuable correlation equations showed the relation between physicochemical parameters (specially with Parachor and Vander Walls Volume) and antimalarial activity. This model has been validated by calculating R and R2 Value. Various models were developed based on different combinations of descriptors to analysis which contribute best in predicting good antimalarial activity. The best model for n = 18 shows Value for R = .071. When electron donation group taken as outlier the QSAR model improved. Presence of (-CH2O) group enhances the antimalarial activity.

Reference this Research Paper (copy & paste below code):

Dr. Pallavi Tiwari, Dr. V.K. Singh (2017); Computer assisted drug designing : Quantitative structure Activity Relationship studies on mono- and Bis- Thiazolium salts having Potent antimalarial activity; Int J Sci Res Publ 7(8) (ISSN: 2250-3153). http://www.ijsrp.org/research-paper-0817.php?rp=P686698
©️ Copyright 2011-2021 IJSRP - All rights reserved. Use of this web site signifies your agreement to the terms and conditions.