Journal of chemical information and modeling
Dec 17, 2025
Accurate prediction of microbe-drug associations (MDAs) is vital for guiding antimicrobial therapy and accelerating drug repositioning. Although experimental validation remains the gold standard, it is costly and time-consuming. Existing models, ofte...
Journal of computer-aided molecular design
Nov 4, 2025
Antimicrobial resistance (AMR) remains a global health crisis, necessitating the development of novel therapeutics against multidrug-resistant pathogens. In this study, ten (10) hybrid imine-benzalacetophenone derivatives (7a-7j), incorporating pyrid...
The rise of antibiotic-resistant pathogens, particularly gram-negative bacteria, highlights the urgent need for novel therapeutics. Drug-resistant infections now contribute to approximately 5 million deaths annually, yet traditional antibiotic discov...
Antimicrobial resistance (AMR) is one of the most significant public health threats today. The need for new antimicrobials against multidrug-resistant infections is growing. The development of computational models capable of predicting new drug-targe...
Thymus capitatus is a widely utilized medicinal plant in Palestine. The main goal of this study was to assess the phytochemical content of T. capitatus essential oils (EOs) from three Palestinian regions using hydro-distillation. Furthermore, the EO ...
Naturally derived carbon quantum dots (CQDs) are novel carbon-based nanomaterials with excellent traits. It is highly demanded to develop CQDs from biowaste that have excellent photostability, a simple synthesis approach, and an appealing output so t...
The phyto-synthesis of ternary CuO/ MnO/ZnO nanocomposite was achieved by the utilization of an eco-friendly, straightforward approach that involved the extract of Nigella sativa seeds. Our ternary nanocomposite appears to include equal amounts of Cu...
This study explored the great potential of endophytic fungi associated with red seaweed Gracilaria sp. and brown seaweed Sargassum sp. of the Bay of Bengal, Bangladesh, for the first time. Endophytic fungi were identified taxonomically by morphologic...
BACKGROUND: The rising danger of antibiotic resistance and the increasing burden of cancer worldwide have highlighted the necessity for a constant supply of new antimicrobial drugs and anticancer therapies. Endophytic fungi, recognized as a rich supp...
Therapeutic drug monitoring (TDM) enables the personalization of treatment regimens, enhancing efficacy in combating infectious diseases while minimizing toxicity risks and reducing the potential for pathogenic resistance. However, existing TDM techn...
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