방광암(HCV29T) 및 직장암(SW707) 세포에 대한 N-치환(R)-2-amino-5-(2,4-dihydroxyphenyl)-1,3,4-thiadiazole 유도체의 항증식 활성에 관한 CoMFA 분석

CoMFA on the Antiproliferative Activity of N-Substituted(R) 2-Amino-5-(2,4-dihydroxyphenyl)-1,3,4-thiadiazole Analogues against Bladder and Rectal Cancer Cells

Comparative molecular field analyses (CoMFA) on the antiproliferative activity of N-substituted (R) 2-amino-5-(2,4-dihydroxyphenyl)-1,3,4-thiadiazole analogues (ADTs: 1-17) against bladder cancer (HCV29T) and rectal cancer (SW707) cells were studied quantitatively. The statistical predictability and fitness of CoMFA A1 model for bladder cancer cells were better than those of CoMFA F1 model for rectal cancer cells and the antiproliferative activity of ADTs depends on steric field (HCV29T: 93.1% & SW707: 83.8%). Also, from the contour maps of optimized CoMFA models, the activity for bladder cancer cells had predicted to increase when sterically favored groups were substituted on meta- and para-position, and sterically disfavored groups were substituted on one ortho-position of phenyl ring. The activity for rectal cancer cells had predicted to increase when sterically favored groups were substituted on para-position, and sterically disfavored groups were substituted on two ortho-position of phenyl ring as R-group.