Design, synthesis, and structure–activity relationships of pyrazole derivatives as potential FabH inhibitors
PC Lv, J Sun, Y Luo, Y Yang, HL Zhu - Bioorganic & medicinal chemistry …, 2010 - Elsevier
Fatty acid biosynthesis is essential for bacterial survival. FabH, β-ketoacyl-acyl carrier
protein (ACP) synthase III, is a particularly attractive target, since it is central to the initiation …
protein (ACP) synthase III, is a particularly attractive target, since it is central to the initiation …
New indazole–1, 2, 3–triazoles as potent antimicrobial agents: Design, synthesis, molecular modeling and in silico ADME profiles
SK Gandham, AA Kudale, TR Allaka, K Chepuri… - Journal of Molecular …, 2024 - Elsevier
Our current work is aimed at synthesizing novel derivatives of 1, 2, 3–triazolyl–indazoles,
applying docking techniques and biological evaluation in order to find active promising …
applying docking techniques and biological evaluation in order to find active promising …
Structure based design, synthesis, and biological evaluation of imidazole derivatives targeting dihydropteroate synthase enzyme
In this study, we have designed and synthesized 2-((5-acetyl-1-(phenyl)-4-methyl-1H-
imidazol-2-yl) thio)-N-(4-((benzyl) oxy) phenyl) acetamide derivatives. Antimicrobial activities …
imidazol-2-yl) thio)-N-(4-((benzyl) oxy) phenyl) acetamide derivatives. Antimicrobial activities …
The search for herbal antibiotics: An in-silico investigation of antibacterial phytochemicals
M Snow Setzer, J Sharifi-Rad, WN Setzer - Antibiotics, 2016 - mdpi.com
Recently, the emergence and spread of pathogenic bacterial resistance to many antibiotics
(multidrug-resistant strains) have been increasing throughout the world. This phenomenon …
(multidrug-resistant strains) have been increasing throughout the world. This phenomenon …
Exploring the synthesis, molecular structure and biological activities of novel Bis-Schiff base derivatives: A combined theoretical and experimental approach
A library of six novel bis-Schiff base derivatives (2a-f) were synthesized, characterized
through modern spectroscopic techniques and screened for their α-glucosidase and α …
through modern spectroscopic techniques and screened for their α-glucosidase and α …
Synthesis and computational studies of potent antimicrobial and anticancer indolone scaffolds with spiro cyclopropyl moiety as a novel design element
A Pandey, A Pandey, R Dubey, R Kant… - Journal of the Indian …, 2022 - Elsevier
The indolones nucleus is the central core to develop new effective anticancer agents and its
substitution at the 3-position can affect antitumor activity, 3-spirocyclopropyl-2-oxindoles …
substitution at the 3-position can affect antitumor activity, 3-spirocyclopropyl-2-oxindoles …
Identification of some novel pyrazolo[1,5-a]pyrimidine derivatives as InhA inhibitors through pharmacophore-based virtual screening and molecular docking
P Modi, S Patel, MT Chhabria - Journal of Biomolecular Structure …, 2019 - Taylor & Francis
The InhA inhibitors play key role in mycolic acid synthesis by preventing the fatty acid
biosynthesis pathway. In this present article, Pharmacophore modelling and molecular …
biosynthesis pathway. In this present article, Pharmacophore modelling and molecular …
Novel (2-Oxoindolin-3-ylidene) methyl)-1H-pyrazole and their fused derivatives: Design, synthesis, antimicrobial evaluation, DFT, chemical approach, in silico ADME …
A series of novel (2-oxoindolin-3-ylidene) methyl)-1H-pyrazole and their fused derivatives
bearing oxindole moiety have been designed and successfully synthesized to and …
bearing oxindole moiety have been designed and successfully synthesized to and …
In Silico-Based Discovery of Natural Anthraquinones with Potential against Multidrug-Resistant E. coli
E. coli is a Gram-negative bacterium that causes different human infections. Additionally, it
resists common antibiotics due to its outer protective membrane. Natural products have …
resists common antibiotics due to its outer protective membrane. Natural products have …
Antibacterial potential of trihydroxycyclohexa-2, 4-diene-1-carboxylic acid: Insight from DFT, molecular docking, and molecular dynamic simulation
Abstract In this study,(z)-5-((3-(2, 3-dihydroxyphenyl) acryloyl) oxy)-1, 3, 4-
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …