Ultrasonic energy for construction of bioactive heterocycles
The ultrasonic energy has been revisited and applied for the synthesis of bioactive
molecules in a short time and green method. These compounds can exhibit anticancer …
molecules in a short time and green method. These compounds can exhibit anticancer …
In silico drug design strategies for discovering novel tuberculosis therapeutics
Introduction Tuberculosis remains a significant concern in global public health due to its
intricate biology and propensity for developing antibiotic resistance. Discovering new drugs …
intricate biology and propensity for developing antibiotic resistance. Discovering new drugs …
Synthesis and characterization of novel thiazole derivatives as potential anticancer agents: Molecular docking and DFT studies
New thiazole derivatives (2a-l) were synthesized via the reaction of 2-(3-cyano-4-
isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid with substituted phenyl amines. The …
isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid with substituted phenyl amines. The …
Synthesis, spectra (FT-IR, NMR) investigations, DFT study, in silico ADMET and Molecular docking analysis of 2-amino-4-(4-aminophenyl) thiophene-3-carbonitrile as …
Abstract The title compound 2-amino-4-(4-aminophenyl) thiophene-3-carbonitrile (AI3), was
synthesized and characterized experimentally by FT-IR, NMR and theoretically by quantum …
synthesized and characterized experimentally by FT-IR, NMR and theoretically by quantum …
Novel 1, 3, 5-triazine-based pyrazole derivatives as potential antitumor agents and EFGR kinase inhibitors: Synthesis, cytotoxicity, DNA binding, molecular docking …
We herein report the design and synthesis of new 1, 3, 5-triazine-based pyrazole derivatives
(5a–i) with anticancer activity targeting the epidermal growth factor (EGFR) tyrosine kinase …
(5a–i) with anticancer activity targeting the epidermal growth factor (EGFR) tyrosine kinase …
Discovery of a novel series of substituted quinolines acting as anticancer agents and selective EGFR blocker: Molecular docking study
Abstract A Ta 2 O 5-anchored-piperidine-4-carboxylic acid (PPCA) nanoparticle has been
synthesized and characterized. It was then used as a highly effective nanocatalyst for the …
synthesized and characterized. It was then used as a highly effective nanocatalyst for the …
Solvent potential effects (topological aspects, electron excitation), spectral characterization and biological attributes of NLO active 1-(2, 4-dinitrophenyl)-2-((E)-3 …
JNC Mishma, VB Jothy, A Irfan, B Narayana… - Journal of Molecular …, 2023 - Elsevier
Density functional theory (DFT) method has many applications in relation to biological as
well as NLO behaviour. It emerged as the most economically viable method for studying …
well as NLO behaviour. It emerged as the most economically viable method for studying …
New oxadiazole/triazole derivatives with antimicrobial and antioxidant properties
In the search for new antimicrobial agents, we synthesized a new series of oxadiazole and
triazole derivatives. The series of N-(benzothiazol-2-yl)-2-{{5-[(2-chlorophenoxy) methyl]-1 …
triazole derivatives. The series of N-(benzothiazol-2-yl)-2-{{5-[(2-chlorophenoxy) methyl]-1 …
Design and synthesis of novel benzimidazole linked thiazole derivatives as promising inhibitors of drug-resistant tuberculosis
Despite combination therapy is effective in treating tuberculosis (TB) caused by susceptible
Mycobacterium tuberculosis (Mtb) strains, overcoming multidrug resistance (MDR) remains …
Mycobacterium tuberculosis (Mtb) strains, overcoming multidrug resistance (MDR) remains …
Design, synthesis and molecular docking studies of imidazole and benzimidazole linked ethionamide derivatives as inhibitors of InhA and antituberculosis agents
To explore effective antituberculosis agents, a new class of imidazoles and benzimidazoles
linked ethionamide analogs were designed and synthesized. The elemental analysis, 1 H …
linked ethionamide analogs were designed and synthesized. The elemental analysis, 1 H …