Advancing drug discovery via artificial intelligence
Drug discovery and development are among the most important translational science
activities that contribute to human health and wellbeing. However, the development of a new …
activities that contribute to human health and wellbeing. However, the development of a new …
Advances in applying computer-aided drug design for neurodegenerative diseases
Neurodegenerative diseases (NDs) including Alzheimer's disease, Parkinson's disease,
amyotrophic lateral sclerosis, and Huntington's disease are incurable and affect millions of …
amyotrophic lateral sclerosis, and Huntington's disease are incurable and affect millions of …
The G protein database, GproteinDb
G Pándy-Szekeres, M Esguerra… - Nucleic Acids …, 2022 - academic.oup.com
Two-thirds of signaling substances, several sensory stimuli and over one-third of drugs act
via receptors coupling to G proteins. Here, we present an online platform for G protein …
via receptors coupling to G proteins. Here, we present an online platform for G protein …
An octopamine receptor confers selective toxicity of amitraz on honeybees and Varroa mites
The Varroa destructor mite is a devastating parasite of Apis mellifera honeybees. They can
cause colonies to collapse by spreading viruses and feeding on the fat reserves of adults …
cause colonies to collapse by spreading viruses and feeding on the fat reserves of adults …
Artificial intelligence (AI) in drugs and pharmaceuticals
The advancement of computing and technology has invaded all the dimensions of science.
Artificial intelligence (AI) is one core branch of Computer Science, which has percolated to …
Artificial intelligence (AI) is one core branch of Computer Science, which has percolated to …
Allosteric drugs and mutations: chances, challenges, and necessity
E Guarnera, IN Berezovsky - Current opinion in structural biology, 2020 - Elsevier
Highlights•Allosteric drugs have become an indispensable tool in precision medicine.•Major
targets for allosteric drugs: diversity structures and functions.•Allosteric effects of mutations …
targets for allosteric drugs: diversity structures and functions.•Allosteric effects of mutations …
The effects of sodium ions on ligand binding and conformational states of G protein-coupled receptors—insights from mass spectrometry
The use of mass spectrometry to investigate proteins is now well established and provides
invaluable information for both soluble and membrane protein assemblies. Maintaining …
invaluable information for both soluble and membrane protein assemblies. Maintaining …
A molecular sensor for cholesterol in the human serotonin1A receptor
The function of several G protein–coupled receptors (GPCRs) exhibits cholesterol sensitivity.
Cholesterol sensitivity of GPCRs could be attributed to specific sequence and structural …
Cholesterol sensitivity of GPCRs could be attributed to specific sequence and structural …
Classification model for the second extracellular loop of class A GPCRs
The extracellular loop 2 (ECL2) is the longest and the most diverse loop among class AG
protein-coupled receptors (GPCRs). It connects the transmembrane (TM) helices 4 and 5 …
protein-coupled receptors (GPCRs). It connects the transmembrane (TM) helices 4 and 5 …
G protein-coupled receptors (GPCRs): advances in structures, mechanisms, and drug discovery
M Zhang, T Chen, X Lu, X Lan, Z Chen… - Signal Transduction and …, 2024 - nature.com
G protein-coupled receptors (GPCRs), the largest family of human membrane proteins and
an important class of drug targets, play a role in maintaining numerous physiological …
an important class of drug targets, play a role in maintaining numerous physiological …