An overview on applications of SwissADME web tool in the design and development of anticancer, antitubercular and antimicrobial agents: A medicinal chemist's …
B Bakchi, AD Krishna, E Sreecharan… - Journal of Molecular …, 2022 - Elsevier
Recently, in silico techniques have gained tremendous popularity in the field of small
molecule drug discovery. The computational jobs include not only hit generation, lead …
molecule drug discovery. The computational jobs include not only hit generation, lead …
Functional modification, self-assembly and application of calix [4] resorcinarenes
JL Liu, M Sun, YH Shi, XM Zhou, PZ Zhang… - Journal of Inclusion …, 2022 - Springer
As a special subset of calix [4] arene, calix [4] resorcinarene is an excellent molecular
platform which could be modified by introducing functional groups to multiple sites at the …
platform which could be modified by introducing functional groups to multiple sites at the …
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 …
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 …
Experimental and theoretical examinations of triazole linked saccharin derivatives as organic corrosion inhibitors for mild steel in hydrochloric acid
The new triazole linked saccharin derivatives namely, 2-(3-methyl-1H-1, 2, 4-triazol-5-yl)
benzo [d] isothiazol-3 (2H)-one 1, 1-dioxide (MTD) and 2-(3-isopropyl-1H-1, 2, 4-triazol-5-yl) …
benzo [d] isothiazol-3 (2H)-one 1, 1-dioxide (MTD) and 2-(3-isopropyl-1H-1, 2, 4-triazol-5-yl) …
Click synthesis of 1, 2, 3-triazole based imidazoles: Antitubercular evaluation, molecular docking and HSA binding studies
CBP Kumar, BS Prathibha, KNN Prasad… - Bioorganic & Medicinal …, 2021 - Elsevier
Using Cu (I)-catalyzed cycloaddition of alkyne and azide reaction (CuAAC), a series of novel
1, 2, 3-triazole based imidazole derivatives (3a-e) have been synthesized. The synthesized …
1, 2, 3-triazole based imidazole derivatives (3a-e) have been synthesized. The synthesized …
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 …
Synthesis, characterization, antimicrobial and interaction studies of pteridines with human serum albumin: A combined multi-spectroscopic and computational study
A novel series of pteridine derivatives (3a–e) was synthesized, and the structures of these
molecules were established using elemental analysis and numerous spectroscopic …
molecules were established using elemental analysis and numerous spectroscopic …