Biased receptor signaling in drug discovery

T Kenakin - Pharmacological reviews, 2019 - ASPET
A great deal of experimental evidence suggests that ligands can stabilize different receptor
active states that go on to interact with cellular signaling proteins to form a range of different …

Exploring G protein-coupled receptors (GPCRs) ligand space via cheminformatics approaches: impact on rational drug design

S Basith, M Cui, SJY Macalino, J Park… - Frontiers in …, 2018 - frontiersin.org
The primary goal of rational drug discovery is the identification of selective ligands which act
on single or multiple drug targets to achieve the desired clinical outcome through the …

Allosteric modulator discovery: from serendipity to structure-based design

S Lu, X He, D Ni, J Zhang - Journal of medicinal chemistry, 2019 - ACS Publications
Allosteric modulators bound to structurally diverse allosteric sites can achieve better
pharmacological advantages than orthosteric ligands. The discovery of allosteric …

Allosteric modulation of class A GPCRs: targets, agents, and emerging concepts

EA Wold, J Chen, KA Cunningham… - Journal of medicinal …, 2018 - ACS Publications
G-protein-coupled receptors (GPCRs) have been tractable drug targets for decades with
over one-third of currently marketed drugs targeting GPCRs. Of these, the class A GPCR …

Computational approaches for the design of modulators targeting protein-protein interactions

AU Rehman, B Khurshid, Y Ali, S Rasheed… - Expert opinion on …, 2023 - Taylor & Francis
ABSTRACT Background Protein-protein interactions (PPIs) are intriguing targets for
designing novel small-molecule inhibitors. The role of PPIs in various infectious and …

Evolution of in silico strategies for protein-protein interaction drug discovery

SJY Macalino, S Basith, NAB Clavio, H Chang, S Kang… - Molecules, 2018 - mdpi.com
The advent of advanced molecular modeling software, big data analytics, and high-speed
processing units has led to the exponential evolution of modern drug discovery and better …

Opportunities and challenges in drug discovery targeting the orphan receptor GPR12

P Wang, L Lv, H Li, CY Wang, J Zhou - Drug Discovery Today, 2023 - Elsevier
Abstract G-protein-coupled receptor 12 (GPR12) is a brain-specific expression orphan G-
protein-coupled receptor (oGPCR) that regulates various physiological processes. It is an …

The crosstalk between 5-HT2AR and mGluR2 in schizophrenia

S Saha, J González-Maeso - Neuropharmacology, 2023 - Elsevier
Schizophrenia is a severe brain disorder that usually produces a lifetime of disability. First
generation or typical antipsychotics such as haloperidol and second generation or atypical …

GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A2A Adenosine Receptor

A Shiriaeva, D Park, G Kim, Y Lee, X Hou… - Journal of medicinal …, 2022 - ACS Publications
Modulators of the G protein-coupled A2A adenosine receptor (A2AAR) have been
considered promising agents to treat Parkinson's disease, inflammation, cancer, and central …

A novel chromone based colorimetric sensor for highly selective detection of copper ions: synthesis, optical properties and DFT calculations

A Mohammadi, B Khalili, AS Haghayegh - Spectrochimica Acta Part A …, 2019 - Elsevier
In this work, a new chromone based colorimetric sensor (ChrCS) was developed for highly
selective detection of copper ions in semi-aqueous media. Evaluation of color and spectral …