Synthesis of C (7) modified chrysin derivatives designing to inhibit β-ketoacyl-acyl carrier protein synthase III (FabH) as antibiotics

HQ Li, L Shi, QS Li, PG Liu, Y Luo, J Zhao… - Bioorganic & medicinal …, 2009 - Elsevier
As a naturally wide distributed flavone, chrysin exhibits numerous biological activities
including anticancer, anti-inflammatory, and antimicrobials activities. β-Ketoacyl-acyl carrier …

Eco-friendly synthesis, characterization, in-silico ADMET and molecular docking analysis of novel carbazole derivatives as antibacterial and antifungal agents

O Merzouki, N Arrousse, A El Barnossi… - Journal of Molecular …, 2023 - Elsevier
In search of novel biologically potent compounds, three novel organic molecules have been
synthesized. The structures of the prepared compounds have been characterized by …

Green, facile synthesis and evaluation of unsymmetrical carbamide derivatives as antimicrobial and anticancer agents with mechanistic insights

FM Sroor, AAF Soliman, EM Youssef, M Abdelraof… - Scientific Reports, 2024 - nature.com
A very practical method for the synthesis of unsymmetrical carbamide derivatives in good to
excellent yield was presented, without the need for any catalyst and at room temperature …

QSAR analysis of 1, 3-diaryl-2-propen-1-ones and their indole analogs for designing potent antibacterial agents

NM Bhatia, KR Mahadik, MS Bhatia - Chemical Papers, 2009 - Springer
Abstract A series of 1, 3-diaryl-2-propen-1-ones and their indole analogs were synthesized
and evaluated for antibacterial activity. Structures of newly synthesized compounds were …

In Silico Mining of Natural Products Atlas (NPAtlas) Database for Identifying Effective Bcl-2 Inhibitors: Molecular Docking, Molecular Dynamics, and Pharmacokinetics …

NM Almansour, KS Allemailem, AA Abd El Aty… - Molecules, 2023 - mdpi.com
The Bcl-2 protein has a vital function in controlling the programmed cell doom of
mitochondria. If programmed cell death signals are obstructed, an imbalance between cell …

Molecular docking studies on InhA, MabA and PanK enzymes from Mycobacterium tuberculosis of ellagic acid derivatives from Ludwigia adscendens and Trewia …

JA Shilpi, MT Ali, S Saha, S Hasan, AI Gray… - In silico …, 2015 - Springer
Purpose There is an urgent need to discover and develop new drugs to combat
Mycobacterium tuberculosis, the causative agent of tuberculosis (TB) in humans. In recent …

Screening, synthesis, and QSAR research on cinnamaldehyde-amino acid Schiff base compounds as antibacterial agents

H Wang, M Jiang, F Sun, S Li, CY Hse, C Jin - Molecules, 2018 - mdpi.com
Development of new drugs is one of the solutions to fight against the existing antimicrobial
resistance threat. Cinnamaldehyde-amino acid Schiff base compounds, are newly …

A combined approach of docking and 3D QSAR study of β-ketoacyl-acyl carrier protein synthase III (FabH) inhibitors

A Ashek, SJ Cho - Bioorganic & medicinal chemistry, 2006 - Elsevier
The enzyme FabH catalyzes the initial step of fatty acid biosynthesis via a type II fatty acid
synthase. The pivotal role of this essential enzyme combined with its unique structural …

Novel structural hybrids of quinoline and thiazole moieties: Synthesis and evaluation of antibacterial and antifungal activities with molecular modeling studies

SI Eissa, AM Farrag, SY Abbas, MF El Shehry… - Bioorganic …, 2021 - Elsevier
One of the best ways to design new biocidal agents is synthesizing hybrid molecules by
combining two or more bioactive moieties in a single molecular scaffold. So, new series of …

Synthesis, in vitro potential and computational studies on 2-amino-1, 4-dihydropyrimidines as multitarget antibacterial ligands

MJ Ahmad, SF Hassan, RU Nisa, K Ayub… - Medicinal Chemistry …, 2016 - Springer
In this study, we have investigated small multitargeted molecules containing 2-
aminopyrimidine scaffold that may further act as precursor for developing more potent …