First report on chemometrics-driven multilayered lead prioritization in addressing oxysterol-mediated overexpression of G protein-coupled receptor 183

A Bhattacharjee, S Kar, PK Ojha - Molecular Diversity, 2024 - Springer
Contemporary research has convincingly demonstrated that upregulation of G protein-
coupled receptor 183 (GPR183), orchestrated by its endogenous agonist, 7α, 25 …

3D-QSAR studies of 8-substituted chromen-4-one-2-carboxylic acid derivatives as potent agonists for the orphan G protein-coupled receptor 35

T Liang, C Yan, L Yang, M Hu, S Ban, Q Li - Medicinal Chemistry …, 2015 - Springer
GPR35, an orphan G protein-coupled receptor, has attracted much attention as a novel
therapeutic target for the treatment of diabetes, hypertension, etc. Recently, 8-substituted …

Unveiling G-protein coupled receptor kinase-5 inhibitors for chronic degenerative diseases: Multilayered prioritization employing explainable machine learning-driven …

A Bhattacharjee, S Kar, PK Ojha - International Journal of Biological …, 2024 - Elsevier
GRK5 holds a pivotal role in cellular signaling pathways, with its overexpression in
cardiomyocytes, neuronal cells, and tumor cells strongly associated with various chronic …

Oxysterols act as promiscuous ligands of class-A GPCRs: in silico molecular modeling and in vitro validation

C Sensi, S Daniele, C Parravicini, E Zappelli, V Russo… - Cellular …, 2014 - Elsevier
According to classical pharmacology, each neurotransmitter/hormonal receptor, including
GPCRs, is exclusively activated by highly specific ligands. However, recent evidence …

Deciphering G-protein-coupled receptor 119 agonists as promising strategy against type 2 diabetes using systems biology approach

AC Kaushik, A Kumar, AU Rehman, M Junaid… - Acs Omega, 2018 - ACS Publications
Type 2 diabetes (T2D) has been established as a serious and chronic medical condition
with clinical feature of insulin deficiency and the resultant pathologically high glucose level …

[HTML][HTML] Pan-cancer analysis and drug formulation for GPR139 and GPR142

AC Kaushik, A Mehmood, X Dai, DQ Wei - Frontiers in Pharmacology, 2021 - frontiersin.org
GPR (G protein receptor) 139 and 142 are novel foundling GPCRs (G protein-coupled
receptors) in the class “A” of the GPCRs family and are suitable targets for various biological …

QSAR modeling, pharmacophore-based virtual screening, and ensemble docking insights into predicting potential epigallocatechin gallate (EGCG) analogs against …

UD Bommu, KK Konidala, N Pabbaraju… - Journal of Receptors …, 2019 - Taylor & Francis
Epigallocatechin gallate (EGCG) is a major polyphenols of green tea may have the
possibility to inhibit epidermal growth factor receptor (EGFR) activity and lead to reduce non …

Cheminformatic analysis and machine learning modeling to investigate androgen receptor antagonists to combat prostate cancer

T Yu, C Nantasenamat, S Kachenton… - ACS …, 2023 - ACS Publications
Prostate cancer (PCa) is a major leading cause of mortality of cancer among males. There
have been numerous studies to develop antagonists against androgen receptor (AR), a …

[HTML][HTML] Identification of GPR35-associated metabolic characteristics through LC-MS/MS-based metabolomics and lipidomics

Q Zhang, X Zhao, S Qin, Q Xiao, Y Tian… - Acta Materia …, 2024 - scienceopen.com
G protein-coupled receptor 35 (GPR35) has gained increasing attention as a promising
target in treating inflammatory and gastrointestinal tract conditions, cardiovascular diseases …

[HTML][HTML] Deep learning-based structure-activity relationship modeling for multi-category toxicity classification: a case study of 10K Tox21 chemicals with high …

G Idakwo, S Thangapandian, J Luttrell IV… - Frontiers in …, 2019 - frontiersin.org
Deep learning (DL) has attracted the attention of computational toxicologists as it offers a
potentially greater power for in silico predictive toxicology than existing shallow learning …