Synthesis, Anticancer, and QSAR Studies of 2-Alkyl(aryl,hetaryl)quinazolin-4(3H)-thione's and [1,2,4]Triazolo[1,5-c]quinazoline-2-thione's Thioderivatives

Considering the frightening high level of mortality from cancer, studies of anticancer agents are vital nowadays. The 24 thioderivatives of 2-alkyl(aryl)-quinazolin-4(3H)-thiones and 20 thioderivatives of [1,2,4]triazolo[1,5-c]quinazoline-2-thiones were synthesized and evaluated for preliminary in vitro anticancer activity with subsequent in silico QSAR analysis. The substance 18 had the best results inhibiting growth of eight cancer cell lines: CCRF-CEM of leukemia; SF-539, SNB-75, and U251 of CNS cancer; 786, RXF393, and UO-31 of renal cancer; and MDA-MB-231/ATCC of breast cancer (−31.50 – 47.41% of cell growth) with low procancer effect. Calculated QSAR-models for CCRF-CEM of leukemia, T-47D and HS 578T of breast cancer, and mean cell growth demonstrated good rate of anticancer activity prediction (r² = 0.7 – 0.8, Q²_LOO = 0.5 – 0.7).