One-pot synthesis of novel poly-substituted 3-cyanopyridines: Molecular docking, antimicrobial, cytotoxicity, and DFT/TD-DFT studies

IM Abdellah, MR Eletmany, AA Abdelhamid… - Journal of Molecular …, 2023 - Elsevier
Abstract Novel pyridine-3-carbonitrile derivatives, denoted as (4a-j), were synthesized using
a convergent synthetic approach that involved a one-pot four-component reaction. This was …

Synthesis and Anticancer Activity of Novel Derivatives of α,β‐Unsaturated Ketones Based on Oleanolic Acid: in Vitro and in Silico Studies against Prostate Cancer …

H Şenol, M Ghaffari‐Moghaddam, Ş Bulut… - Chemistry & …, 2023 - Wiley Online Library
Herein, new derivatives of α, β‐unsaturated ketones based on oleanolic acid (4 a–i) were
designed, synthesized, characterized, and tested against human prostate cancer (PC3) …

Bioactive plant waste components targeting oral bacterial pathogens as a promising strategy for biofilm eradication

S Mashal, A Siddiqua, N Ullah, R Baloch… - Frontiers in …, 2024 - frontiersin.org
The significance of this study lies in its exploration of bioactive plant extracts as a promising
avenue for combating oral bacterial pathogens, offering a novel strategy for biofilm …

Preliminary insight on diarylpentanoids as potential antimalarials: In silico, in vitro pLDH and in vivo zebrafish toxicity assessment

AH Ramli, P Swain, MSAM Fahmi, F Abas, SW Leong… - Heliyon, 2024 - cell.com
Malaria remains a major public health problem worldwide, including in Southeast Asia.
Chemotherapeutic agents such as chloroquine (CQ) are effective, but problems with drug …

[PDF][PDF] EXPLORATION OF THE ACTIVE COMPOUNDS OF MORINGA OLEIFERA LAM AS HIV-1 REVERSE TRANSCRIPTASE INHIBITOR: A NETWORK …

M FITRIANA, A MUN'IM, WA FIRDAYANI - Int J App Pharm, 2024 - academia.edu
Objective: This study aims to predict the active compound of Moringa oleifera for the
treatment of Human Immunodeficiency Virus (HIV), specifically targeting the HIV-1 reverse …

Designing, Docking, Molecular Dynamics of Several Aminocoumarin Analogues to Predict Solution of Aminocoumarin Derivatives Issues: Poor Oral-Bioavailability …

M Al-Amin, MA Haque - 2023 - researchsquare.com
Aminocoumarin derivatives such as Novobiocin, Coumermycin, and Clorobiocin have
several issues: poor oral bioavailability, low solubility, and toxicity. The Food and Drug …

[引用][C] Exploring the Relationship between PheSA Scores and Ligand Efficiency in the Discovery of Potent Antimalarials: A Computational Perspective

AO Ayodele, OJ Ayodele, S Nasiru, WI Musa… - Journal of Tropical …, 2024