title: Molecular modeling based synthesis and evaluation of in vitro anticancer activity of indolyl chalcones.
abstract: A series of twenty one chalcone derivatives having indole moiety were synthesized and were evaluated against four human cancer cell lines. Indolyl chalcones 1a, 1b, 1d, 1f-1j, 2c, 2e, 2i showed good anticancer activity. Chalcones 1b and 1d were the most active and selective anticancer agents with IC50 values <1μg/ml and 1.51μg/ml, against WRL-68 cell line, respectively. Molecular mechanism was explored through in silico docking & ADMET studies.
authors: Rashmi
authors: R
authors: Gaur
authors: Dharmendra K
authors: DK
authors: Yadav
authors: Shiv
authors: S
authors: Kumar
authors: Mahendra P
authors: MP
authors: Darokar
authors: Feroz
authors: F
authors: Khan
authors: Medicinal Chemistry Division, CSIR-Central Institute of Medicinal and Aromatic Plants, Lucknow- 226015, India. bhakunirs2000@gmail.com.
authors: Rajendra Singh
authors: RS
authors: Bhakuni
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000493:pharmacokinetics / Q000494:pharmacology*; D045744:Cell Line, Tumor; D047188:Chalcones / Q000737:chemistry*; D003198:Computer Simulation; D004354:Drug Screening Assays, Antitumor; D006801:Humans; D007211:Indoles / Q000737:chemistry; D020128:Inhibitory Concentration 50; D008958:Models, Molecular; D062105:Molecular Docking Simulation; D013329:Structure-Activity Relationship
chemical_list: D000970:Antineoplastic Agents; D047188:Chalcones; D007211:Indoles