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AiGPro: a multi-tasks model for profiling of GPCRs for agonist and antagonist.
J Cheminform
January 2025
School of Systems Biomedical Science, Soongsil University, 369 Sangdo-ro, Dongjak-gu, 06978, Seoul, Republic of Korea.
G protein-coupled receptors (GPCRs) play vital roles in various physiological processes, making them attractive drug discovery targets. Meanwhile, deep learning techniques have revolutionized drug discovery by facilitating efficient tools for expediting the identification and optimization of ligands. However, existing models for the GPCRs often focus on single-target or a small subset of GPCRs or employ binary classification, constraining their applicability for high throughput virtual screening.
View Article and Find Full Text PDFComparison of clinical and virological features in pediatric and adult dengue cases at Insein General Hospital during Myanmar's 2022 dengue season.
Trop Med Health
January 2025
Department of Medical Research, Ministry of Health, No.5, Ziwaka Road, Dagon Township, Yangon, 11191, Myanmar.
Background: Myanmar is one of the countries in Southeast Asia where serious dengue outbreaks occur and Yangon is among the regions with the highest number of cases in the country. Many infections including dengue are common in Yangon during the rainy season, and co-infections may also occur. Adults are more likely than children to experience co-infections of dengue and other diseases.
View Article and Find Full Text PDFAnatomical characterization of Semi-arid Bignoniaceae using light and scanning electron microscopy.
BMC Plant Biol
January 2025
Plant Production Department, College of Food and Agricultural Sciences, King Saud University, P.O. Box. 2460, Riyadh, 11451, Saudi Arabia.
Background: The present research work was done to evaluate the anatomical differences among selected species of the family Bignoniaceae, as limited anatomical data is available for this family in Pakistan. Bignoniaceae is a remarkable family for its various medicinal properties and anatomical characterization is an important feature for the identification and classification of plants.
Methodology: In this study, several anatomical structures were examined, including stomata type and shape, leaf epidermis shape, epidermal cell size, and the presence or absence of trichomes and crystals (e.
Comparative study of degree, neighborhood and reverse degree based indices for drugs used in lung cancer treatment through QSPR analysis.
Sci Rep
January 2025
Department of Pharmacology and Toxicology, College of Pharmacy, King Saud University, 11461, Riyadh, Saudi Arabia.
Quantitative structure-property relationship (QSPR) modeling has emerged as a pivotal tool in the field of medicinal chemistry and drug design, offering a predictive framework for understanding the correlation between chemical structure and physicochemical properties. Topological indices are mathematical descriptors derived from the molecular graphs that capture structural features and connectivity, playing a crucial role in QSPR analysis by quantitatively relating chemical structures to their physicochemical properties and biological activities. Lung cancer is characterized by its aggressive nature and late-stage diagnosis, often limiting treatment options and significantly impacting patient survival rates.
View Article and Find Full Text PDFChemical shift assignments of DRB2 domains, a dsRNA binding protein in A. thaliana RNAi pathway.
Biomol NMR Assign
January 2025
CSIR-Centre for Cellular and Molecular Biology, Uppal Road, Hyderabad, 500007, India.
In Arabidopsis thaliana, micro-RNA regulation is primarily controlled by DCL1, an RNase III enzyme, and its associated proteins. DCL1, together with DRB2, governs a specific group of miRNAs that induce the inhibition of target mRNA translation. DRB2 is a multi-domain protein containing two N-terminal dsRNA binding domains (dsRBD) separated by a linker, followed by an unstructured C-terminal tail.
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