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Drug-target interaction, molecular screening, ADMET, compound databases, pharmaceutical data
627 datasets
Two novel Pt(IV) prodrug complexes, Pt(IV)-biSi-1 and Pt(IV)-biSi-2, are reported. Pt(IV)-biSi-2 demonstrated enhanced cytotoxicity against colon cancer cells (HCT 116 and HT-29) compared to cisplatin and Pt(IV)-biSi-1, with lower toxicity on nontumorigenic intestinal cells (HIEC6). The dataset was authored by Francisco Navas and last updated on 2026-05-31.
Nostolysamides are a class of acylated lanthipeptides with demonstrated antibacterial and antifungal activity. The dataset likely contains results from genome mining, heterologous expression in Escherichia coli, and in vitro studies of the acetyltransferase NpuN. Enleyona Weir published this research on figshare in April 2026.
Shared Genetics Implicate Gut Microbiota and Immunity in Anterior Uveitis and Inflammatory Bowel Disease is a dataset from figshare by Gangyi Li, last updated April 2026. It contains results from genetic analyses, including GWAS data, Mendelian randomization, and multi-trait colocalization with 412 gut microbiome features. The dataset identifies 62 pleiotropic risk loci and explores causal links between IBD subtypes and anterior uveitis.
IC50 and IC80 scores for antimicrobial peptide (AMP) study sequences V703 and V704. The dataset, created by Bette Korber and shared under a CC-BY-4.0 license, groups transmitted founder lineages from individuals and marks the most and least sensitive variants for panel design. It is a small 52.0 KB Excel file last updated in April 2026.
TO-ISe, a selenium-containing photosensitizer, binds RNA G-quadruplexes with a dissociation constant of 860 nM. The dataset contains phototoxicity measurements, showing IC50 values of 0.16–0.27 μM in cancer cells versus 5.9–7.8 μM in nonmalignant cells, and reports up to 72.8% tumor growth inhibition in a mouse model. Wei Long published this experimental data on figshare in April 2026.
Kinopotok Toxicity is a dataset for text classification tasks, published on the Hugging Face platform by YuraYuyuyu. The dataset's platform tags suggest it relates to social media, content moderation, and toxicity detection. It was last updated on July 14, 2026.
A collection of 64 silicon-containing pharmacophores constructed through modular synthesis for drug discovery. The dataset, authored by Zhigang Wu and last updated in April 2026, includes results from screening these compounds for their ability to recruit protein degradation systems. It demonstrates the application of a silicon–carbon switch strategy to develop new drug motifs with therapeutic potential.
A collection of 64 silicon-containing pharmacophores constructed through modular synthesis for drug discovery. The dataset, authored by Zhigang Wu and last updated in April 2026, includes results from screening these compounds for their ability to recruit protein degradation systems. It demonstrates the application of a silicon–carbon switch strategy to develop new drug motifs with therapeutic potential.
A 305.2 KB dataset from figshare contains structural data for Peptide-2, a novel inhibitor identified via virtual screening. The peptide exhibits nanomolar binding affinity (Kd = 8.05 ± 0.17 nM) for talin2 and demonstrated potent in vivo antitumor activity in breast cancer models without significant toxicity. Author Xiaobo Zhang published this research dataset under a CC-BY-NC-4.0 license, last updated on 2026-04-23.
A 304.8 KB dataset containing structural and experimental data for Peptide-2, a novel inhibitor discovered via virtual screening. The data, authored by Xiaobo Zhang and last updated on 2026-04-23, includes PDB files likely detailing the molecular interaction between the peptide and the talin2 protein target.
A 304.8 KB dataset containing structural and experimental data for Peptide-2, a novel inhibitor discovered via virtual screening. The data, authored by Xiaobo Zhang and last updated on 2026-04-23, includes PDB files likely detailing the molecular interaction between the peptide and the talin2 protein target.
A dataset from a pharmacology study describes the first peptide inhibitor targeting the talin2-β-integrin interaction. The dataset likely contains molecular dynamics simulation data and experimental results for Peptide-2, which exhibited nanomolar binding affinity and potent antitumor activity in MDA-MB-231 breast cancer cells. The data was authored by Xiaobo Zhang and last updated on 2026-04-23.
A dataset containing structural and experimental data for Peptide-2, the first inhibitor targeting the talin2-β-integrin interaction. The data includes binding affinity measurements (Kd = 8.05 ± 0.17 nM), results from in vitro and in vivo antitumor activity studies in breast cancer models, and molecular dynamics simulation data. The dataset was authored by Xiaobo Zhang and last updated on 2026-04-23.
Xiaobo Zhang's dataset, published on figshare in April 2026, contains data related to the first peptide inhibitor targeting the talin2-β-integrin interaction. The dataset includes molecular dynamics simulation results and experimental data showing the inhibitor's nanomolar binding affinity and potent antitumor activity in breast cancer models. The primary data format is PDB files, with a total size of 305.1 KB.
24 Wistar albino rats were divided into four groups to investigate the role of endoplasmic reticulum stress in DEHP-induced kidney damage and the therapeutic effect of 4-PBA. The dataset comprises biochemical measurements (creatinine, urea, BUN), protein expression levels of ER stress markers (GRP78, CHOP, Caspase 12), and histological assessments from a 28-day controlled animal study. Authored by Mohammed Nazish Quasmi and published on figshare in 2026.
A chemoproteomic dataset from Kaylyn L. Devlin, last updated April 17, 2026, identifies enzymes targeted by β-lactam antibiotics in Mycobacterium abscessus. It compares targets across two subspecies in both replicating and nonreplicating cultures, listing 17 consistently active targets, including seven previously unknown binders.
A chemoproteomic dataset from Kaylyn L. Devlin, last updated April 17, 2026, identifies enzymes targeted by β-lactam antibiotics in Mycobacterium abscessus. It compares targets across two subspecies in both replicating and nonreplicating cultures, listing 17 consistently active targets, including seven previously unknown binders.
A study by Jia-Rui Sun, published on figshare in April 2026, describes the synthesis and evaluation of novel myrtucommulone B derivatives as soluble epoxide hydrolase (sEH) inhibitors. The dataset, 8.9 MB in size, likely contains results from bioassays measuring sEH inhibition, toxicity, and in vitro/vivo anti-inflammatory and analgesic effects, including data from a murine acute pancreatitis model.
Locations where New York City residents can safely dispose of pharmaceuticals and syringes. The dataset includes site details such as address, contact information, and operating hours, compiled by the New York City Department of Sanitation. It was last updated in April 2026.
Drug toxicity fatalities in Nova Scotia are tracked by frequencies, rates, and proportions across time, geography, and demographic groups. The dataset includes columns for drug type, health zone, manner of death, sex, living situation, and whether others were present. It supports analysis of trends and disparities in substance-related mortality.