Therapeutic regimens that comprise more than one active ingredient are commonly used in clinical medicine. Despite this, most drug discovery efforts search for drugs that are composed of a single chemical entity. A focus in the early drug discovery process on identifying and optimizing the activity of combinations of molecules can result in the identification of more effective drug regimens. A systems perspective facilitates an understanding of the mechanism of action of such drug combinations.
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http://dx.doi.org/10.1038/nrd1609 | DOI Listing |
Nanoscale
January 2025
Centre for Nano Science and Nano Technology, S 'O' A (Deemed to be University), Bhubaneswar-751 030, Odisha, India.
Titanium (Ti)-based MOFs are promising materials known for their porosity, stability, diverse valence states, and a lower conduction band (CB) than Zr-MOFs. These features support stable ligand-to-metal charge transfer (LMCT) transitions under photoirradiation, enhancing photocatalytic performance. However, Ti-MOF structures remain a challenge owing to the highly volatile and hydrophilic nature of ionic Ti precursors.
View Article and Find Full Text PDFBraz J Microbiol
January 2025
Innovation and Drug Discovery, Sava Healthcare Limited, Research Center, MIDC, Block D1, Plot No. 17/6, Chinchwad, Pune, 411019, India.
Plant parts such as roots, bark, leaves, flowers, and fruits that hold ethnopharmacological significance are naturally prone to microbial contamination, influenced by environmental factors like moisture and humidity. This study focuses on assessing the microbial load in the raw material of Tribulus terrestris (TT). The primary bacterium isolated from the pulverized raw material was identified as Bacillus haynesii through 16S rRNA sequencing.
View Article and Find Full Text PDF<b>Background and Objective:</b> Peatlands are unique ecosystems rich in microbial diversity, including bacteria with potential antibiotic activity. This study focuses on the isolation and characterization of bacteria from Indonesian peat soil, particularly their potential to produce antibiotics against multidrug-resistant (MDR) pathogens, including Methicillin-Resistant <i>Staphylococcus aureus</i> (MRSA). <b>Materials and Methods:</b> Bacterial isolates were rejuvenated on nutrient agar and subjected to antimicrobial activity testing using the Bauer & Kirby diffusion method against MRSA.
View Article and Find Full Text PDFDrug Dev Res
February 2025
Department of Pharmaceutical Chemistry, College of Pharmacy, Jouf University, Sakaka, Aljouf, Saudi Arabia.
Leishmaniasis and trypanosomiasis are parasitic diseases that are closely linked to poverty, pose significant local burdens, and are common in tropical and subtropical regions. Various synthetic tetralone derivatives were studied as potential scaffolds for antileishmanial and antitrypanosomal activities. The compounds were studied for their effectiveness against multiple kinetoplastid protozoan pathogens: Leishmania major, Leishmania mexicana, and bloodstream trypomastigotes of Trypanosoma brucei brucei.
View Article and Find Full Text PDFChem Sci
January 2025
University of Missouri - Columbia, Department of Chemistry USA
Critical Assessment of Computational Hit-Finding Experiments (CACHE) Challenges emerged as real-life stress tests for computational hit-finding strategies. In CACHE Challenge #1, 23 participants contributed their original workflows to identify small-molecule ligands for the WD40 repeat (WDR) of LRRK2, a promising Parkinson's target. We applied the FRASE-based hit-finding robot (FRASE-bot), a platform for interaction-based screening allowing a drastic reduction of the explorable chemical space and a concurrent detection of putative ligand-binding sites.
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