Design, synthesis and biological evaluation of 2,5-diaryloxazolo[4,5-<i>d</i>]pyrimidin-7-ylamines as selective cytotoxic agents against HeLa cells. [PDF]
Kachaeva MV +7 more
europepmc +1 more source
Hydroxamic Acids as HDAC Inhibitor Drug Leads for Malaria
ABSTRACT Malaria is a global health threat, with an estimated 282 million cases and 610,000 malaria‐associated deaths reported in 2024. Most mortality is due to infection by Plasmodium falciparum parasites, with the highest burden occurring in Sub‐Saharan Africa.
Wisam A. Dawood +7 more
wiley +1 more source
Synthesis of new pyrazolo[3,4-d]pyrimidines as potential mutant EGFR/HER2 and Bcl2 inhibitors: anticancer evaluation, DFT, molecular docking and ADME studies. [PDF]
Metwally NH, Saad ZA, Mohamed MS.
europepmc +1 more source
Plasmepsins as Antimalarial Drug Targets—Then, Now, and the Future
ABSTRACT Malaria is a devastating disease caused by Plasmodium parasites. Plasmodium parasites express ten cathepsin D‐like aspartyl proteases, called plasmepsins (PMs). These PMs have diverse roles fulfill diverse functions throughout the parasite's lifecycle, though several exhibit functional redundancies. Among them, PMV, PMIV, and PMX are essential
Brad E. Sleebs
wiley +1 more source
Influence of Phosphate Activation Chemistry on the Selection of the Primordial Genetic Alphabet. [PDF]
Bošković F +3 more
europepmc +1 more source
Small‐Molecule Kinase Inhibitors Modulating Circadian Rhythms
ABSTRACT The circadian clock mechanism generates 24‐h rhythms crucial for regulating various physiological processes, and its dysregulation has been implicated in numerous diseases. In cells, the circadian clock operates through a transcriptional‐translational feedback loop, where phosphorylation plays a pivotal role in maintaining accurate circadian ...
Irene Castellino +3 more
wiley +1 more source
Metal-free Minisci C-H alkylation of hydrazones using aldehydes: an unexpected route to hydrazone-containing pyrimidine derivatives. [PDF]
Tirehdast A, Semeniuchenko V, Shiri A.
europepmc +1 more source
AI/ML Enabled High‐Throughput Design and Synthesis for Energetic Molecules
Novel design methods for a special kind of functional molecules — the energetic molecules—are summarized. Both classic Machine Learning (ML) and Artificial Intelligence (AI) generative models are utilized for the high‐throughput design of these energetic molecules, and a sort of high‐energy low‐sensitivity molecules are obtained.
Wen Qian
wiley +1 more source
Regioselective synthesis, structural investigation and binding behavior of 6-aroyl-7-aryl-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-<i>a</i>]pyrimidines with BSA using various spectroscopic and <i>in silico</i> methods. [PDF]
Aggarwal R +4 more
europepmc +1 more source
Atrazine degradation in agricultural soils showed in situ half‐lives of 36–225 days. Field and laboratory results indicate active microbial hydrolysis driven mainly by trzN. Biphasic degradation sustains long‐term persistence, maintaining the potential for groundwater contamination despite reduced immediate leaching risk.
Truphena Akinyi +3 more
wiley +1 more source

