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Polysaccharides, found universally in all living-species, exhibit diverse biochemical structures and play crucial roles in microorganisms, animals, and plants to defend against pathogens, environmental stress and climate-changing. Microbial exopolysaccharides are essential for cell adhesion and stress resilience and using them has notable advantages over synthetic polysaccharides. Exopolysaccharides have versatile structures and physicochemical properties, used in food systems, therapeutics, cosmetics, agriculture, and polymer industries.

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Water pollution, oxidative stress and the emergence of multidrug-resistant bacterial strains are significant global threats that require urgent attention to protect human health. Nanocomposites that combine multiple metal oxides with carbon-based materials have garnered significant attention due to their synergistic physicochemical properties and versatile applications in both environmental and biomedical fields. In this context, the present study was aimed at synthesizing a ternary metal-oxide nanocomposite consisting of silver oxide, copper oxide, and zinc oxide (ACZ-NC), along with a multi-walled carbon nanotubes modified ternary metal-oxide nanocomposite (MWCNTs@ACZ-NC).

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Scaled and Weighted Laplacian Matrices as Functional Descriptors for GPCR Ligands.

J Comput Chem

January 2025

Departamento de Fisicoquímica, Facultad de Química, Universidad Nacional Autónoma de México, Coyoacán, CDMX, Mexico.

The G protein-coupled receptor (GPCR) pharmacology accounts for a significant field in research, clinical studies, and therapeutics. Computer-aided drug discovery is an evolving suite of techniques and methodologies that facilitate accelerated progress in drug discovery and repositioning. However, the structure-activity relationships of molecules targeting GPCRs are highly challenging in many cases since slight structural modifications can lead to drastic changes in biological functionality.

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Introduction: Poly(methyl vinyl ether co-maleic acid) (PMVE/MA) hydrogel microneedles (HMN) are investigated for transdermal delivery of macromolecular drugs owing to their biocompatibility and super-swelling properties. However, the drug delivery efficacy reduces with increasing molecular weight due to the entrapment within the HMN matrices. Furthermore, integrating external drug reservoirs extends the drug diffusion path and reduces the efficiency of drug permeation.

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Watson-Crick and Hoogsteen hydrogen bonds aid the formation of highly ordered structures in genomic DNA that dynamically govern genetic modes such as gene regulation and replication. Hence, measuring and distinguishing these two types of hydrogen bonds in different DNA contexts are essential for understanding DNA architectures. However, due to their transient nature and minimal structure differences at the sub-nanometer scale, differentiating Watson-Crick hydrogen bonds from Hoogsteen hydrogen bonds is difficult.

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