title: Synthesis of new class of spirocarbocycle derivatives by multicomponent domino reaction and their evaluation for antimicrobial, anticancer activity and molecular docking studies.
abstract: A series of 25 new spirocarbocycles were synthesized by a three component reaction that involves few cyclic nucleophiles, vinyl malononitriles and aldehydes with variable substitution patterns. All the synthesized compounds were evaluated for their antimicrobial activity and the compounds showed significant activity. Synthesized compounds 4c, 4i and 6i showed good anticancer activity against A549 cancer cell line. Molecular docking studies indicated that compound 4i had the greatest affinity for DNA gyrase receptor than others and compound 6i had the greatest affinity for anaplastic lymphoma kinase (ALK) receptor. These compounds can be better therapeutic agents for microbial and cancer cell lines.
authors: Organic Chemistry Division, CSIR-Central Leather Research Institute, Adyar, Chennai 600 020, India.
authors: N
authors: N
authors: Sudhapriya
authors: Organic Chemistry Division, CSIR-Central Leather Research Institute, Adyar, Chennai 600 020, India. Electronic address: ptperumal@gmail.com.
authors: P T
authors: PT
authors: Perumal
authors: Division of Microbiology, Entomology Research Institute, Loyola College, Chennai 600 034, India.
authors: C
authors: C
authors: Balachandran
authors: Division of Microbiology, Entomology Research Institute, Loyola College, Chennai 600 034, India.
authors: S
authors: S
authors: Ignacimuthu
authors: Department of Biotechnology, Indian Institute of Technology, Chennai 600 036, India.
authors: M
authors: M
authors: Sangeetha
authors: Department of Biotechnology, Indian Institute of Technology, Chennai 600 036, India.
authors: Mukesh
authors: M
authors: Doble
mesh_terms: D000077548:Anaplastic Lymphoma Kinase; D000890:Anti-Infective Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology*; D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology*; D001419:Bacteria / Q000187:drug effects; D045744:Cell Line, Tumor; D060326:Chemistry Techniques, Synthetic; D027081:DNA Gyrase / Q000737:chemistry / Q000378:metabolism; D006801:Humans; D062105:Molecular Docking Simulation; D011487:Protein Conformation; D020794:Receptor Protein-Tyrosine Kinases / Q000737:chemistry / Q000378:metabolism; D013141:Spiro Compounds / Q000138:chemical synthesis* / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology*
chemical_list: D000890:Anti-Infective Agents; D000970:Antineoplastic Agents; D013141:Spiro Compounds; C000626173:ALK protein, human; D000077548:Anaplastic Lymphoma Kinase; D020794:Receptor Protein-Tyrosine Kinases; D027081:DNA Gyrase
keywords: Anticancer activity; Antimicrobial activity; Molecular docking; Multicomponent reaction; Spirocarbocycle; Vinylogous Michael addition