BACKGROUND: Multiple sclerosis (MS) is an autoimmune inflammatory disorder that causes neurological disability. Dysregulated lipid metabolism contributes to the pathogenesis of MS. This study aimed to identify lipid metabolism-related gene markers an...
Journal of chemical information and modeling
Jan 16, 2025
The global impact of SARS-CoV-2 highlights the need for treatments beyond vaccination, given the limited availability of effective medications. While Pfizer introduced , an FDA-approved antiviral targeting the SARS-CoV-2 main protease (Mpro), this st...
Journal of chemical information and modeling
Jan 16, 2025
Designing chemically novel and synthesizable ligands from the largest possible chemical space is a major issue in modern drug discovery to identify early hits that are easily amenable to medicinal chemistry optimization. Starting from the sole three-...
OBJECTIVE: Psoriasis is a common clinical skin inflammatory disease. Haitang-Xiaoyin Mixture (HXM) represents a traditional Chinese medicine formulation utilized clinically for the management of psoriasis, which can reduce the psoriasis area and seve...
Computer methods and programs in biomedicine
Jan 13, 2025
BACKGROUND: Alzheimer's disease (AD), the most prevalent form of dementia, remains enigmatic in its origins despite the widely accepted "amyloid hypothesis," which implicates amyloid-beta peptide aggregates in its pathogenesis and progression. Despit...
Tyrosine-protein kinase Src plays a key role in cell proliferation and growth under favorable conditions, but its overexpression and genetic mutations can lead to the progression of various inflammatory diseases. Due to the specificity and selectivit...
Chronic lymphocytic leukemia (CLL) is a malignancy caused by the overexpression of the anti-apoptotic protein B-cell lymphoma-2 (BCL-2), making it a critical therapeutic target. This study integrates computational screening, molecular docking, and mo...
Food research international (Ottawa, Ont.)
Jan 7, 2025
The unclear relationship between structure and saltiness enhancement limits the development and application of savory odorants. The structure characteristic-saltiness enhancement perception (SEP) mechanisms of savory odorants were investigated by mac...
Food research international (Ottawa, Ont.)
Jan 6, 2025
Hypertension is a major global health concern, and there is a need for new antihypertensive agents derived from natural sources. This study aims to identify novel angiotensin I-converting enzyme (ACE) inhibitors from bioactive peptides derived from f...
One way to treat diabetes mellitus type II is by using α-glucosidase inhibitor, that will slow down the postprandial glucose intake. Metabolomics analysis of Artabotrys sumatranus leaf extract was used in this research to predict the active compounds...
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