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Drug-target interaction, molecular screening, ADMET, compound databases, pharmaceutical data
532 datasets
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 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.
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.
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 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 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.
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.
A figshare document authored by Yingjie Ren in April 2026 details a study on SARS-CoV-2 main protease inhibitors. The research identifies verbascoside and 3,4-dicaffeoylquinic acid from Siphonostegia chinensis, reporting binding affinities (KD) of 2.149 × 10⁻⁶ M and 2.487 × 10⁻⁵ M, and IC50 values of 0.076 µM and 0.194 µM.
A 19.2 KB Excel dataset from a 2026 study by Mo Han, shared on figshare under a CC-BY-4.0 license. It contains results from in vivo murine and in vitro HK-2 cell models investigating Licochalcone A's protective effects against cisplatin-induced kidney damage. The data likely includes measurements of renal function, oxidative stress, ferroptosis markers, and mitochondrial health.
A 3.0 MB DOCX file uploaded to figshare by Mo Han on April 17, 2026. The file contains supplementary material for a study investigating Licochalcone A's protective effects against cisplatin-induced kidney damage. The research employed in vivo murine models and in vitro HK-2 cell assays.
A review document analyzing heterocyclic frameworks developed between 2020 and 2024 for antidiabetic drug discovery. The 2.1 MB DOCX file, authored by Sumit Tahlan and last updated in April 2026, highlights structure-activity relationships, molecular docking insights, and therapeutic mechanisms for various scaffold classes.
A 6.4 MB PDF file published on figshare under a CC-BY-4.0 license by Xiumin Shi, last updated April 16, 2026. The file contains supplementary data for a study investigating the long non-coding RNA LINC02470 and its role in suppressing natural killer cell cytotoxicity by targeting the NCR1 gene.
Predicted toxicity profiles for the anesthetic agents sevoflurane and propofol. The dataset is a 10.0 KB XLSX file authored by Lili Bai and shared under a CC-BY-4.0 license. It was last updated on May 18, 2026.
Toxicity-related targets associated with the anesthetics sevoflurane and propofol. The dataset is a 21.6 KB Excel file authored by Lili Bai and shared under a CC-BY-4.0 license. It was last updated on May 18, 2026.