title: Design, synthesis and anticancer activities of hybrids of indole and barbituric acids--identification of highly promising leads.
abstract: By combining the structural features of indole and barbituric acid, new hybrid molecules were designed and synthesized. Evaluations of these molecules over 60 cell line panel of human cancer cells have identified two molecules with significant anticancer activities. Dockings of two active molecules in the active sites of COX-2, thymidylate synthase and ribonucleotide reductase indicate their strong interactions with these enzymes.
authors.affiliation: Department of Chemistry, Guru Nanak Dev University, Amritsar, India. palwinder_singh_2000@yahoo.com
authors.forename: Palwinder
authors.initials: P
authors.lastname: Singh
authors.forename: Matinder
authors.initials: M
authors.lastname: Kaur
authors.forename: Pooja
authors.initials: P
authors.lastname: Verma
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D001463:Barbiturates / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D020134:Catalytic Domain; D045744:Cell Line, Tumor; D003198:Computer Simulation; D051546:Cyclooxygenase 2 / Q000378:metabolism; D015195:Drug Design; D004354:Drug Screening Assays, Antitumor; D006801:Humans; D007211:Indoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D011744:Pyrimidinones / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D012264:Ribonucleotide Reductases / Q000378:metabolism; D013329:Structure-Activity Relationship; D013940:Thymidylate Synthase / Q000378:metabolism
chemical_list: D000970:Antineoplastic Agents; D001463:Barbiturates; D007211:Indoles; D011744:Pyrimidinones; D051546:Cyclooxygenase 2; D012264:Ribonucleotide Reductases; D013940:Thymidylate Synthase; C032232:barbituric acid