Worm Drug and Plant Alkaloid Emerge as Top Computational Candidates Against Resistant H. pylori
A new comparative docking study ranks the anthelmintic niclosamide and the plant alkaloid berberine against three key Helicobacter pylori enzymes, ...
Tag: ADMET
AI Scans Traditional Foods to Find Genes Behind High-Altitude Sickness
A bioinformatics study combining human altitude transcriptomics, machine learning and AI-driven compound screening has identified five candidate genes and two ...
Computational Design Points to New Indolinone Drug Candidates Against Cancer
Researchers have computationally designed ten novel indolinone-based anticancer candidates and prioritized two, Pred 9 and Pred 10, as potential MEK1 ...
Mild Silicon Catalyst Turns Classic Reaction Into Assembly Line for New Alzheimer’s Drug Candidates
Chemists have used a mild silicon catalyst to rapidly build dihydropyrimidinethione compounds that inhibit the cholinesterase enzymes implicated in Alzheimer's ...
Metal-free click polymerizations rewrite the rules of step-growth polymerization
A new review shows how thiol-yne and amino-yne click polymerizations overcome classical step-growth constraints and enable photodegradable precision polyketones, while ...
Designer Molecules That Outperform Vitamin C Could Keep Fresh Beef Red for Longer
Chemists synthesized ten indole-thiosemicarbazide hybrids, with one compound outperforming vitamin C in radical-scavenging assays and preserving the red color of ...
Mathematical Graph Theory Ranks Breast Cancer Drugs by Structure and Safety
A new study combines resolving topological indices, ADMET analysis, and MCDM ranking methods to computationally rank fifteen breast cancer drugs, ...
Ancient Indian Tree Leaves Show Drug-Like Power Against Inflammation and Infection
A new integrated laboratory and computational study confirms that the flavonoid-rich leaves of Bauhinia variegata, long used by tribal healers ...
Plant Compound Hecogenin Emerges as Top Computational Candidate Against Epstein–Barr Virus
A computational screen of 1,000 plant compounds identifies the steroidal saponin hecogenin as a leading multitarget inhibitor candidate against Epstein–Barr ...
African Plant Compounds Emerge as Digital Leads Against River Blindness Parasite
Virtual screening of a Central African natural-product library has identified homoisoflavanone and related compounds as stable computational inhibitors of the ...
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Mothers who receive childcare support from maternal grandparents show more parental warmth, finds NTU Singapore study
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University of Seville Breaks 120-Year-Old Mystery, Revises a Key Einstein Concept
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Bee body mass, pathogens and local climate influence heat tolerance
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Researchers record first-ever images and data of a shark experiencing a boat strike
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Groundbreaking Clinical Trial Reveals Lubiprostone Enhances Kidney Function
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