Label-free target protein characterization for small molecule drugs: recent advances in methods and applications

F Feng, W Zhang, Y Chai, D Guo, X Chen - Journal of Pharmaceutical and …, 2023 - Elsevier
Target protein identification is the key to identification of the mechanisms, side effects, and
evaluating druglikeness of small-molecule drugs. The commonly used “labeled” target …

[HTML][HTML] Genome-wide pan-GPCR cell libraries accelerate drug discovery

H Yang, Y Wang, W Liu, T He, J Liao, Z Qian… - … Pharmaceutica Sinica B, 2024 - Elsevier
G protein-coupled receptors (GPCRs) are pivotal in mediating diverse physiological and
pathological processes, rendering them promising targets for drug discovery. GPCRs …

Probabilistic and dynamic molecule-disease interaction modeling for drug discovery

T Fu, C Xiao, C Qian, LM Glass, J Sun - Proceedings of the 27th ACM …, 2021 - dl.acm.org
Drug discovery aims at finding promising drug molecules for treating target diseases.
Existing computational drug discovery methods mainly depend on molecule databases …

Structure and chemistry of enzymatic active sites that play a role in the switch and conformation mechanism

C Selvaraj, O Rudhra, AS Alothaim, M Alkhanani… - Advances in Protein …, 2022 - Elsevier
Enzymes, which are biological molecules, are constructed from polypeptide chains, and
these molecules are activated through reaction mechanisms. It is the role of enzymes to …

Genetic mechanisms of asthma and the implications for drug repositioning

Y Huo, HY Zhang - Genes, 2018 - mdpi.com
Asthma is a chronic disease that is caused by airway inflammation. The main features of
asthma are airway hyperresponsiveness (AHR) and reversible airway obstruction. The …

A network biology approach to unraveling inherited axonopathies

DM Bis-Brewer, MC Danzi, S Wuchty, S Züchner - Scientific reports, 2019 - nature.com
Inherited axonopathies represent a spectrum of disorders unified by the common
pathological mechanism of length-dependent axonal degeneration. Progressive axonal …

Human accelerated genome regions with value in medical genetics and drug discovery

XY Chu, Y Quan, HY Zhang - Drug Discovery Today, 2020 - Elsevier
Highlights•Evolutionary insights are helpful in various medical fields.•HARs are significantly
enriched with neurological disorder-associated genes.•Approved drugs target nearly twice …

Facilitating anti-cancer combinatorial drug discovery by targeting epistatic disease genes

Y Quan, MY Liu, YM Liu, LD Zhu, YS Wu, ZH Luo… - Molecules, 2018 - mdpi.com
Due to synergistic effects, combinatorial drugs are widely used for treating complex
diseases. However, combining drugs and making them synergetic remains a challenge …

Comprehensive bioinformatics analysis reveals biomarkers of DNA methylation-related genes in varicose veins

S Li, Y Liu, M Liu, L Wang, X Li - Frontiers in Genetics, 2022 - frontiersin.org
Background: Patients with Varicose veins (VV) show no obvious symptoms in the early
stages, and it is a common and frequent clinical condition. DNA methylation plays a key role …

[HTML][HTML] GETdb: A comprehensive database for genetic and evolutionary features of drug targets

Q Zhang, Y He, YP Lu, QH Wei, HY Zhang… - Computational and …, 2024 - Elsevier
The development of an innovative drug is complex and time-consuming, and the drug target
identification is one of the critical steps in drug discovery process. Effective and accurate …