Of drugs and trypanosomatids: new tools and knowledge to reduce bottlenecks in drug discovery

A Bhattacharya, A Corbeil, RL do Monte-Neto… - Genes, 2020 - mdpi.com
Leishmaniasis (Leishmania species), sleeping sickness (Trypanosoma brucei), and Chagas
disease (Trypanosoma cruzi) are devastating and globally spread diseases caused by …

Synthesis and biological activities of chemical drugs for the treatment of rheumatoid arthritis

S Zhou, H Zou, G Chen, G Huang - Topics in Current Chemistry, 2019 - Springer
Rheumatoid arthritis (RA) is a chronic systemic autoimmune disease that primarily affects
the joints, with the main clinical manifestations being chronic, symmetrical, and peripheral …

Theoretical exploration on structures, bonding aspects and molecular docking of α-aminophosphonate ligated copper complexes against SARS-CoV-2 proteases

O Yadav, M Kumar, H Mittal, K Yadav… - Frontiers in …, 2022 - frontiersin.org
Recent years have witnessed a growing interest in the biological activity of metal complexes
of α-aminophosphonates. Here for the first time, a detailed DFT study on five α …

A Computational Method for the Binding Mode Prediction of COX-1 and COX-2 Inhibitors: Analyzing the Union of Coxibs, Oxicams, Propionic and Acetic Acids

E Bello-Vargas, MA Leyva-Peralta, Z Gómez-Sandoval… - Pharmaceuticals, 2023 - mdpi.com
Among the biological targets extensively investigated to improve inflammation and chronic
inflammatory conditions, cyclooxygenase enzymes (COXs) occupy a prominent position …

Some important inhibitors and mechanisms of rheumatoid arthritis

S Zhou, G Huang - Chemical Biology & Drug Design, 2022 - Wiley Online Library
Rheumatoid arthritis (RA) is a chronic disease that seriously affects human health and
quality of life, and it is one of the main causes of labor loss and disability. Many countries …

Transition-metal-free electrochemical-induced active C(sp3)-H functionalization

X Ma, J Wei, X Yang, H Xu, Y Hu - Green Chemistry Letters and …, 2023 - Taylor & Francis
Direct C–H bond functionalization is the most effective technique to construct C–X (X= C, N,
O, S, etc.), which could simplify the conventional synthesis methods. Transition-metal …

Synthesis, bioinformatics and biological evaluation of novel α-aminophosphonates as antibacterial agents: DFT, molecular docking and ADME/T studies

H K'tir, A Amira, C Benzaid, Z Aouf, S Benharoun… - Journal of Molecular …, 2022 - Elsevier
Abstract Novel α-aminophosphonates containing 1, 2, 3-oxathizolidine-2, 2-dioxide moiety
were described. These molecules were synthesized within two steps starting by the …

Direct Phosphonylation of N-Carbamate-tetrahydroisoquinoline by convergent paired electrolysis

A Ollivier, S Sengmany, M Rey, T Martens, E Léonel - Synlett, 2020 - thieme-connect.com
Mild experimental conditions for a direct phosphonylation of an easily cleavable N-
carbamate-tetrahydroisoquinoline have been described under constant current electrolysis …

Stability Constant and Potentiometric Sensitivity of Heavy Metal–Organic Fluorescent Compound Complexes: QSPR Models for Prediction and Design of Novel …

PT Diem-Tran, TT Ho, NV Tuan, LQ Bao, HT Phuong… - Toxics, 2023 - mdpi.com
Industrial wastewater often consists of toxic chemicals and pollutants, which are extremely
harmful to the environment. Heavy metals are toxic chemicals and considered one of the …

Anti-inflammatory, Radical-Scavenging, and Chelating Activities of Nor-Triterpenes from Galphimia Species

E León-Álvarez, CM Pacheco, R Gesto-Borroto… - Revista Brasileira de …, 2024 - Springer
Anti-inflammatory and radical-scavenging activities of the methanolic extract from the leaves
of Galphimia spp. collected in Morelos, Mexico, and isolated galphimidin and galphimidin B …