Anticancer SAR models for MCF-7 and MDA-MB-231 breast cell lines.

摘要: The National Cancer Institute's Developmental Therapeutics Program (DTP) maintains the screening results obtained in 60 standardized cancer cell lines for ~43,000 compounds. Here application of categorical structure-activity relationship (cat-SAR) program identification structural attributes identified compounds that display differential cytostatic or cytotoxic activity to one breast line and not another is reported. goal this approach separate features associated with antiproliferative towards many from those affect only a specific type. To assess approach, SAR models were developed against human MCF-7 MDA- MB-231 three potent agents cells, but relatively inactive MDA-MB-231 cells. comprised most 200 active least found DTP database other equally between lines. Leave-one-out validations individual returned values 83 85% concordance, 66 76% concordance models. cat-SAR chemical included furthermore, able differentiate selective two Thus it conceivable such line-specific mechanisms could be exploited discovery highly anti-breast also potentially facilitate development sufficient resolution clarity identify moieties types while being innocuous types.