[HTML][HTML] Dopamine receptor subtypes, physiology and pharmacology: new ligands and concepts in schizophrenia

JC Martel, S Gatti McArthur - Frontiers in pharmacology, 2020 - frontiersin.org
Dopamine receptors are widely distributed within the brain where they play critical
modulator roles on motor functions, motivation and drive, as well as cognition. The …

[HTML][HTML] Homology modeling a fast tool for drug discovery: current perspectives

VK Vyas, RD Ukawala, M Ghate… - Indian journal of …, 2012 - ncbi.nlm.nih.gov
Major goal of structural biology involve formation of protein-ligand complexes; in which the
protein molecules act energetically in the course of binding. Therefore, perceptive of protein …

[HTML][HTML] Structural basis of efficacy-driven ligand selectivity at GPCRs

AS Powers, V Pham, WAC Burger, G Thompson… - Nature Chemical …, 2023 - nature.com
A drug's selectivity for target receptors is essential to its therapeutic utility, but achieving
selectivity between similar receptors is challenging. The serendipitous discovery of ligands …

Current drug treatments targeting dopamine D3 receptor

GM Leggio, C Bucolo, CBM Platania… - Pharmacology & …, 2016 - Elsevier
Dopamine receptors (DR) have been extensively studied, but only in recent years they
became object of investigation to elucidate the specific role of different subtypes (D1R, D2R …

Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system

V Gautam, A Gaurav, N Masand, VS Lee, VM Patil - Molecular Diversity, 2023 - Springer
CNS disorders are indications with a very high unmet medical needs, relatively smaller
number of available drugs, and a subpar satisfaction level among patients and caregiver …

[HTML][HTML] Computational chemistry for the identification of lead compounds for radiotracer development

CJ Hsieh, S Giannakoulias, EJ Petersson, RH Mach - Pharmaceuticals, 2023 - mdpi.com
The use of computer-aided drug design (CADD) for the identification of lead compounds in
radiotracer development is steadily increasing. Traditional CADD methods, such as structure …

From laptop to benchtop to bedside: structure-based drug design on protein targets

L Chen, JK Morrow, HT Tran… - Current …, 2012 - ingentaconnect.com
As an important aspect of computer-aided drug design, structure-based drug design brought
a new horizon to pharmaceutical development. This in silico method permeates all aspects …

Homology modeling: an important tool for the drug discovery

TCC França - Journal of Biomolecular Structure and Dynamics, 2015 - Taylor & Francis
In the last decades, homology modeling has become a popular tool to access theoretical
three-dimensional (3D) structures of molecular targets. So far several 3D models of proteins …

[HTML][HTML] Homology Modeling of Dopamine D2 and D3 Receptors: Molecular Dynamics Refinement and Docking Evaluation

CBM Platania, S Salomone, GM Leggio, F Drago… - 2012 - journals.plos.org
Dopamine (DA) receptors, a class of G-protein coupled receptors (GPCRs), have been
targeted for drug development for the treatment of neurological, psychiatric and ocular …

Algorithms for structure comparison and analysis: Homology modelling of proteins

M Wiltgen - … of bioinformatics and computational biology: ABC of …, 2018 - books.google.com
Protein structure is uniquely determined by its amino acid sequence. Knowledge of protein
3D structure is of crucial importance for understanding protein function, dynamics and …