title: Microwave-Assisted ZrSiO2Catalysed Synthesis, Characterization and Computational Study of Novel Spiro[Indole-Thiazolidines] Derivatives as Anti-tubercular Agents.
abstract: In the current investigation, we prepared a series of novel spiro[indole-thiazolidines] derivatives (5a-5h) from 5-substituted isatin derivatives and thioglycolic acid (TGA) with ZrSiO2as an efficient catalyst under microwave irradiation. The significant merits of this protocol have some significant merits such as simplicity in operation, simple, efficient workup, good practical yields of product and the employment of recyclable catalyst. All the new synthesized scaffold has been well characterized by various spectroscopic methods and elemental analysis. All the spiro scaffolds were subjected to in vitro anti-mycobacterial activity against the Mycobacterium tuberculosis (H37Rv) strain. We have carried out molecular docking study of our synthesized compounds. We also calculated theoretically ADME-Tox parameters for synthesized compounds.
authors.affiliation: Department of Chemistry, School of Sciences, Gujarat University, Ahmedabad, 380009, Gujarat, India. mayuri.borad@gmail.com.
authors.forename: Mayuri A
authors.initials: MA
authors.lastname: Borad
authors.affiliation: Department of Chemistry, School of Sciences, Gujarat University, Ahmedabad, 380009, Gujarat, India.
authors.forename: Manoj N
authors.initials: MN
authors.lastname: Bhoi
authors.affiliation: Department of Chemistry, School of Sciences, Gujarat University, Ahmedabad, 380009, Gujarat, India.
authors.forename: Sanjay K
authors.initials: SK
authors.lastname: Rathwa
authors.affiliation: Department of Chemistry, School of Sciences, Gujarat University, Ahmedabad, 380009, Gujarat, India.
authors.forename: Mahesh S
authors.initials: MS
authors.lastname: Vasava
authors.affiliation: Department of Chemistry, School of Sciences, Gujarat University, Ahmedabad, 380009, Gujarat, India.
authors.forename: Hitesh D
authors.initials: HD
authors.lastname: Patel
authors.affiliation: Department of Bioinformatics, Applied Botany Centre (ABC), School of Sciences, Gujarat University, Ahmedabad, 380009, Gujarat, India.
authors.forename: Chirag N
authors.initials: CN
authors.lastname: Patel
authors.affiliation: Department of Bioinformatics, Applied Botany Centre (ABC), School of Sciences, Gujarat University, Ahmedabad, 380009, Gujarat, India.
authors.forename: Himanshu A
authors.initials: HA
authors.lastname: Pandya
authors.affiliation: Department of Life Sciences, School of Sciences, Gujarat University, Ahmedabad, 380009, Gujarat, India.
authors.forename: Edwin A
authors.initials: EA
authors.lastname: Pithawala
authors.affiliation: Department of Bioinformatics, Christ College, Rajkot, 360 005, Gujarat, India.
authors.forename: John J
authors.initials: JJ
authors.lastname: Georrge
mesh_terms: D000995:Antitubercular Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D002384:Catalysis; D020134:Catalytic Domain; D018360:Crystallography, X-Ray; D007211:Indoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D008024:Ligands; D008872:Microwaves; D062105:Molecular Docking Simulation; D009169:Mycobacterium tuberculosis / Q000187:drug effects; D012822:Silicon Dioxide / Q000737:chemistry*; D013141:Spiro Compounds / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D053778:Thiazolidines / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D013997:Time Factors; D015040:Zirconium / Q000737:chemistry*
chemical_list: D000995:Antitubercular Agents; D007211:Indoles; D008024:Ligands; D013141:Spiro Compounds; D053778:Thiazolidines; D012822:Silicon Dioxide; C030374:indole; D015040:Zirconium
keywords: ADMET property; Anti-mycobacterial activity; Green chemistry; Microwave irradiation; Spiro compound; Spiro[indole-thiazolidines]; ZrSiO2