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Development of Triazine-4,6-diamines derivatives as potential Antimalarials: In-Silico Analysis
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1  Department of Pharmaceutical Chemistry, SNJB’s SSD Jain College of Pharmacy, Neminagar, Chandwad, Nashik-423101, Maharashtra, India


Development of 2, N6-disubstituted 1,2-dihydro-1,3,5-trizine-4,6-diamines derivatives were carried out by quantitative structure–activity relationship (QSAR) analyses. The nature of the substituent(s) on C-2; the nature of the substituent(s) on the distal aryl ring; as well as the nature and length of the flexible tether between the rings, to find out the structural requirements of their antimalarial activities against cycloguanil resistant (FCR-3) Plasmodium falciparum strain and sensitive to pyrimethamine. The statistically significant best 2D QSAR models for FCR-3, having correlation coefficient (r2) = 0.9821 and cross validated squared correlation coefficient (q2) = 0.6471 were developed by multiple linear regression stepwise (SW–MLR) forward algorithm. The results of the present study may be useful on the designing of more potent analogues as antimalarial agents.

Keywords: QSAR, Trizine-4,6-diamines; Antimalarials; SW-MLR