title: Evaluation of 6-chloro-N-[3,4-disubstituted-1,3-thiazol-2(3H)-ylidene]-1,3-benzothiazol-2-amine Using Drug Design Concept for Their Targeted Activity Against Colon Cancer Cell Lines HCT-116, HCT15, and HT29.
abstract: BACKGROUND Colorectal adenocarcinoma is the second leading cause of cancer-related death in the world. The stage of the disease is related to the survival of the patient, and in early phases surgery is the main modality of treatment. The main aim of modern medicinal chemistry is to synthesize small molecules via drug designing, especially by targeting tumor cells. MATERIAL AND METHODS A new series of 19 compounds containing benzothiazole and thiazole were designed. Molecular docking studies were performed on the designed series of molecules. Compounds showing good binding affinity towards the EGFR receptor were selected for synthetic studies. Characterization of the synthesized compounds was done by FTIR, 1HNMR, Mass and C, H, N, analysis. RESULTS The anticancer evaluation of the synthesized compounds was done at NIC, USA at a single dose against colon cancer cell lines HCT 116, HCT15, and HC 29. The active compounds were further evaluated for the 5-dose testing. Compounds were designed by using docking analysis. To ascertain the interaction of EGFR tyrosine kinase binding, energy calculation was used. CONCLUSIONS The results of the present study indicate that the designed compounds show good activity against colon cancer cell lines, which may be further studied to design new potential molecules.
authors.affiliation: Department of Gastroenterology, Weihai Central Hospital, Weihai, Shandong, China (mainland).
authors.forename: Ming-Li
authors.initials: ML
authors.lastname: Zhu
authors.affiliation: 2nd Department of Gastroenterology, Linyi People's Hospital, Linyi, Shandong, China (mainland).
authors.forename: Cui-Yue
authors.initials: CY
authors.lastname: Wang
authors.affiliation: Department of Gastroenterology, Weihai Central Hospital, Weihai, Shandong, China (mainland).
authors.forename: Cheng-Mian
authors.initials: CM
authors.lastname: Xu
authors.affiliation: Department of Gastroenterology, Weihai Central Hospital, Weihai, Shandong, China (mainland).
authors.forename: Wei-Ping
authors.initials: WP
authors.lastname: Bi
authors.affiliation: Department of Laboratory Medicine, Weihai Central Hospita, Weihai, Shandong, China (mainland).
authors.forename: Xiu-Ying
authors.initials: XY
authors.lastname: ZHou
mesh_terms: D000255:Adenosine Triphosphate; D000970:Antineoplastic Agents / Q000737:chemistry / Q000494:pharmacology; D052160:Benzothiazoles / Q000737:chemistry / Q000494:pharmacology; D001665:Binding Sites; D045744:Cell Line, Tumor; D049109:Cell Proliferation / Q000187:drug effects; D003110:Colonic Neoplasms / Q000473:pathology*; D018360:Crystallography, X-Ray; D004305:Dose-Response Relationship, Drug; D015195:Drug Design; D004354:Drug Screening Assays, Antitumor; D006801:Humans; D006860:Hydrogen Bonding; D057927:Hydrophobic and Hydrophilic Interactions; D062105:Molecular Docking Simulation
chemical_list: D000970:Antineoplastic Agents; D052160:Benzothiazoles; D000255:Adenosine Triphosphate; C005465:benzothiazole