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New Pyrano[2,3-d:6,5-d']dipyrimidine Derivatives-Synthesis, in vitro Cytotoxicity and Computational Studies

[ Vol. 16 , Issue. 8 ]

Author(s):

Suresh Maddila, Kovashnee Naicker, Sridevi Gorle, Surjyakant Rana, Kotaiah Yalagala, Surya N. Maddila, Moganavelli Singh, Parvesh Singh and Sreekantha B. Jonnalagadda   Pages 1031 - 1037 ( 7 )

Abstract:


A new series of pyrano[2,3-d:6,5-d&#039;]dipyrimidine derivatives were synthesized and evaluated for their in vitro anticancer activity. The structures of all the synthesized compounds were confirmed by <sup>1</sup>H NMR, <sup>13</sup>C NMR, 15N NMR, HR-MS and FT-IR spectral analyses. The cytotoxic activities of these compounds against four human cancer (HeLa, SKBR-3, HepG2, and Caco-2) cell lines were determined. The synthesized compounds showed high selectivity, and four compounds (5e, 5f, 5g and 5i) showed excellent potent cytotoxicity against HeLa, SKBR-3, and HepG2 cancer cell lines. Furthermore, four other compounds (5a, 5c, 5b and 5d) have exhibited significant cytotoxicity activity in the SKBR-3 and HepG2 cell lines respectively, with moderate cytotoxicity seen in the HeLa cell line. Additionally, a molecular docking study was conducted to predict the anti-cancer behavior of the synthesized compounds via inhibition of the allosteric site of Human Kinesin Eg5.

Keywords:

Synthesis, pyrimidines, pyranes, cytotoxicity activity, HeLa, SKBR-3, HepG2.

Affiliation:

, , , , , , , , Department of Chemistry, School of Chemistry & Physics, University of KwaZulu-Natal, Westville Campus, Chiltern Hills, Durban-4000, South Africa.



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