Tag: drug discovery

A new benchmark called MolGenBench evaluated 17 generative models for structure-based drug design and found persistent weaknesses in producing reliable ...

Research report: Identification of potential breast cancer therapeutics from non-phenolic diarylheptanoids of Curcuma xanthorrhiza using network pharmacology and in silico methods

Identification of potential breast cancer therapeutics from non-phenolic diarylheptanoids of Curcuma xanthorrhiza using network pharmacology and in silico methods

The work, led by Roney Miah and colleagues, is entirely predictive: no compounds were extracted from the plant and no ...

Medicinal Plants Show Anti-Proliferative Potential in sweeping Review of Natural Extracts

A new open access review in Clinical Phytoscience compiles evidence that numerous medicinal plants and their natural chemical constituents can ...

Computational redesign of nirmatrelvir yields ranked MERS-CoV protease inhibitor candidates

A computational study generated nearly 16,000 nirmatrelvir analogues and a similarity-based binding score to prioritize candidate inhibitors of the MERS-CoV ...

Microbes Hiding Inside Medicinal Plants Emerge as New Weapon Against Drug-Resistant Infections

A new review argues that endophytic microbes living inside medicinal plants produce compounds that can kill multidrug-resistant pathogens, though toxicity ...

Gene disruption yields new anthraquinone analogue with antibacterial and antimalarial activity

Researchers disrupted an O-methyltransferase gene in the kinanthraquinone biosynthetic cluster and isolated a new demethylated analogue whose activities reveal how ...

What Pharma Employers Really Want From Pharmacology Graduates: Interviews Reveal Skills, Gaps and Surprising Praise

Interviews with eight UK pharmaceutical industry employees found graduates highly regarded for enthusiasm and positivity, but often lacking core pharmacology ...

Nickel catalyst pairs anionic and neutral ligands to steer cyclohexane stereochemistry

A dual-ligand nickel catalyst enables stereoselective synthesis of thermodynamically disfavoured cyclohexane isomers with high kinetic stereocontrol.

Computational drug screening struggles against drug-resistant tuberculosis, review finds

A new review argues that virtual screening and AI-driven modeling have expanded the search for anti-tuberculosis drugs, but persistent mismatches ...

Generative AI-Designed TEAD Inhibitor Shows 40% Response Rate in Heavily Pretreated Mesothelioma

A Phase 1 trial presented at ESMO 2026 reports a 40% objective response rate at 130 mg for ISM6331, a ...

Silent soil bacteria genes yield new compounds targeting cancer-linked enzyme

Researchers at HZI and HIPS activated silent bacterial genes to discover myxoglucamides, unusual natural products that bind the cancer-associated enzyme ...

NU7441 shows dual BRD4 and DNA-PK activity in ovarian cancer cells

Preclinical assays found that NU7441 displaced BRD4 from acetylated chromatin and impaired homologous recombination and non-homologous end joining in ovarian ...

Virtual biotech deploys 37,000 AI agents across drug discovery

A Stanford-developed virtual biotech used 37,000 AI agents to analyze 50,000 trials, identify markers linked to drug success and design ...

Machine learning identifies leukemia drug candidates and vulnerable target

A machine-learning pipeline identified AML-selective small molecules and implicated glutathione reductase as a vulnerability that can be exploited in laboratory ...

Cell benchmark study finds specialized AI matches frontier models in aging biology

A Cell study found that aging-specialized language models matched or surpassed 16 general-purpose frontier systems on a benchmark spanning clinical ...

First human Phase 1 data for AI-designed ISM6331 to be presented

Insilico Medicine plans to present first human Phase 1 data for the AI-designed pan-TEAD inhibitor ISM6331 in mesothelioma and other ...

ARDD 2026 to Unite Longevity Science, Pharma and Regulation at Harvard

ARDD 2026, scheduled for October 1–3 at Harvard University, will convene scientists, pharmaceutical executives, regulators, investors and biotechnology leaders for ...

Blocking the NAD+-Consuming Enzyme CD38 Protects Neurons and Eases Motor Deficits in a Rat Parkinson’s Model