Synthesis structural characterization in silico and in vitro biological evaluation of novel indazole fused carbothioamide derivatives as antibacterial agents

Abstract

The objective of the work is to synthesize medicinally important novel indazole fused carbothioamide derivatives for treating bacterial infections.Three compounds have been studied,which comprise indazole,phenyl,thiophenyl,carbothiomide groups. The work reported in the thesis is divided into seven chapters. newlineChapter 1 reports the biological importance of indazole, carbothioamide, nitrophenyl and thiophene moieties in drug design process applications. Synthesis of three indazole fused carbothioamide derivatives are illustrated in this chapter. newlineand#61623; 3-(4-methylphenyl)-N-phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-2-carbothioamide (BICT) newlineand#61623; 3and#8208;(4and#8208; methoxyphenyl) and#8208; Nand#8208;(4and#8208;nitrophenyl) and#8208; 3,3a,4,5-tetrahydro-2H-benzo[g]indazole-2-carbothioamide (MNPBICT) newlineand#61623; N-phenyl-3-(thiophen-2-yl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-2-carbothioamide (TBICT) newlineChapter 2 describes Spectral characterization of the synthesized compounds by experimental and theoretical methods. The functional groups of the synthesized compounds are identified by FT-IR, 1H NMR and 13C NMR experimental spectral characterization methods. The same are validated by quantum chemical computations using Gaussian-03 software with DFT/B3LYP/6-311++G(d,p) model (Gaussian 03W Program 2003). newline