Design, synthesis, molecular docking of new lipophilic acetamide derivatives affording potential anticancer and antimicrobial agents
Abstract Fifteen new substituted N-2-(2-oxo-3-phenylquinoxalin-1 (2H)-yl) acetamides 5a-f,
6a-f, and 8a-c were synthesized by reacting ethyl 2-(2-oxo-3-phenylquinoxalin-1 (2H)-yl) …
6a-f, and 8a-c were synthesized by reacting ethyl 2-(2-oxo-3-phenylquinoxalin-1 (2H)-yl) …
Docking study, molecular dynamic, synthesis, anti-α-glucosidase assessment, and ADMET prediction of new benzimidazole-Schiff base derivatives
The control of postprandial hyperglycemia is an important target in the treatment of type 2
diabetes mellitus (T2DM). As a result, targeting α-glucosidase as the most important enzyme …
diabetes mellitus (T2DM). As a result, targeting α-glucosidase as the most important enzyme …
Design, synthesis, characterization, in vitro screening, molecular docking, 3D-QSAR, and ADME-Tox investigations of novel pyrazole derivatives as antimicrobial …
M Chalkha, M Akhazzane, FZ Moussaid… - New Journal of …, 2022 - pubs.rsc.org
In this work, we report the synthesis of some new pyrazole derivatives via an efficient and
practical procedure. The structures of the obtained compounds were established using …
practical procedure. The structures of the obtained compounds were established using …
Potential antifungal activity of novel carbohydrate derivatives validated by POM, molecular docking and molecular dynamic simulations analyses
SMA Kawsar, FA Almalki, TB Hadd… - Molecular …, 2023 - Taylor & Francis
Our current study focuses on the molecular structures of the series of methyl 4, 6-O-
benzylidene-α-D-glucopyranoside 1–9 as potential antifungal agents to obtain more insight …
benzylidene-α-D-glucopyranoside 1–9 as potential antifungal agents to obtain more insight …
Exploring biogenic chalcones as DprE1 inhibitors for antitubercular activity via in silico approach
S Rathod, P Chavan, D Mahuli, S Rochlani… - Journal of Molecular …, 2023 - Springer
Cases of drug-resistant tuberculosis (TB) have increased worldwide in the last few years,
and it is a major threat to global TB control strategies and the human population …
and it is a major threat to global TB control strategies and the human population …
Synthesis, characterization, antimicrobial, antioxidant and computational evaluation of N-acyl-morpholine-4-carbothioamides
The present research paper reports the convenient synthesis, successful characterization, in
vitro antibacterial, antifungal, antioxidant potency and biocompatibility of N-acyl-morpholine …
vitro antibacterial, antifungal, antioxidant potency and biocompatibility of N-acyl-morpholine …
Design, synthesis and in silico study of pyridine based 1, 3, 4-oxadiazole embedded hydrazinecarbothioamide derivatives as potent anti-tubercular agent
AN Ambhore, SS Kamble, SN Kadam… - … biology and chemistry, 2019 - Elsevier
Abstract Development of novel, safe and effective drug candidates combating the emerging
drug resistance has remained a major focus in the mainstream of anti-tuberculosis research …
drug resistance has remained a major focus in the mainstream of anti-tuberculosis research …
[HTML][HTML] Design, synthesis and antifungal evaluation of novel benzimidazole tertiary amine type of fluconazole analogues
RS Kankate, PS Gide, DP Belsare - Arabian Journal of Chemistry, 2019 - Elsevier
A novel series of compounds containing tertiary amine moiety, substituted benzimidazole
and triazole ring, initial design by molecular docking study of this scaffold at the active site of …
and triazole ring, initial design by molecular docking study of this scaffold at the active site of …
[HTML][HTML] Impact of polar (DMSO, ethanol, water) solvation on geometry, spectroscopy (FT-IR, UV, NMR), quantum chemical parameters, and the antifungal activities of …
Due to their ubiquity and the rise of drug-resistant forms, Candida albicans infections pose a
serious threat to world health. Exploring new molecular possibilities is essential in order to …
serious threat to world health. Exploring new molecular possibilities is essential in order to …