title: Cytotoxic activity evaluation and QSAR study of chromene-based chalcones.
abstract: Chalcone and chromene motifs are synthetic or naturally occurring scaffolds with significant cytotoxic profile. Two types of novel regioisomeric chromene-chalcone hybrids, namely 1-(6-chloro or 6-methoxy-2H-chromen-3-yl)-3-phenylprop-2-en-1-one (Type A) and 3-(6-chloro or 6-methoxy-2H-chromen-3-yl)-1-phenylprop-2-en-1-one (Type B), both with different substituents on the phenyl ring attached to propenone linkage, have been evaluated for their cytotoxic activity against breast cancer cell lines (MCF-7 and MDA-MB-231). The results indicate that type A of chromene-chalcones demonstrated better cytotoxic profile than type B especially in MDA-MB-231 cell line. In addition, the growth inhibitory activity of most of the target compounds is higher than Etoposide as a reference drug. QSAR analysis of these novel compounds demonstrated that topological and geometrical parameters are among the important descriptors that influence the cytotoxic activity profile of compounds.
authors.affiliation: Drug Design & Development Research Center, Tehran University of Medical Sciences, Tehran, Iran.
authors.forename: Loghman
authors.initials: L
authors.lastname: Firoozpour
authors.forename: Najmeh
authors.initials: N
authors.lastname: Edraki
authors.forename: Maryam
authors.initials: M
authors.lastname: Nakhjiri
authors.forename: Saeed
authors.initials: S
authors.lastname: Emami
authors.forename: Maliheh
authors.initials: M
authors.lastname: Safavi
authors.forename: Sussan Kabudanian
authors.initials: SK
authors.lastname: Ardestani
authors.forename: Mehdi
authors.initials: M
authors.lastname: Khoshneviszadeh
authors.forename: Abbas
authors.initials: A
authors.lastname: Shafiee
authors.forename: Alireza
authors.initials: A
authors.lastname: Foroumadi
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry* / Q000627:therapeutic use; D001578:Benzopyrans / Q000737:chemistry* / Q000627:therapeutic use; D001943:Breast Neoplasms / Q000188:drug therapy / Q000473:pathology; D047188:Chalcones / Q000737:chemistry* / Q000627:therapeutic use; D003603:Cytotoxins / Q000737:chemistry* / Q000627:therapeutic use; D004353:Drug Evaluation, Preclinical / Q000379:methods; D005260:Female; D006801:Humans; D061986:MCF-7 Cells; D021281:Quantitative Structure-Activity Relationship
chemical_list: D000970:Antineoplastic Agents; D001578:Benzopyrans; D047188:Chalcones; D003603:Cytotoxins