Evidence map›Paper›PMID 41825109›Full record

ReviewCurrent opinion in structural biology2026

Computer-aided structural modeling and drug discovery for G-protein-coupled receptors in the age of artificial intelligence.

Sabina Novack, Marta Filizola

Abstract readReview
In one paragraph

Review in Current opinion in structural biology, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

2 authors.

Sabina NovackDepartment of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, One Gustave L. Levy Place, New York, NY, 10029, USA.
Marta FilizolaDepartment of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, One Gustave L. Levy Place, New York, NY, 10029, USA. Electronic address: marta.filizola@mssm.edu.

Funding

Conduits: Mount Sinai Health System Translational Science HubUL1TR004419 · NCATS · ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI · PI Rosalind J Wright · 2022 to 2026
$46.4M
COVID and Translational Science supercomputer (CATS)S10OD030463 · OD · ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI · PI KOVATCH, PATRICIA · 2021 to 2021
$2.0M
Big Omics Data Engine 2 SupercomputerS10OD026880 · OD · ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI · PI KOVATCH, PATRICIA · 2019 to 2019
$2.0M
Leveraging Integrative Modeling and AI-Based Tools to Develop Safer OpioidsR01DA063209 · NIDA · ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI · PI Marta Filizola · 2025 to 2026
$1.5M
AI-Accelerated Discovery of Novel Compounds for GPCRs Targeted by Drugs of AbuseR21DA059420 · NIDA · ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI · PI FILIZOLA, MARTA · 2024 to 2025
$465k
NCATS NIH HHS UL1 TR004419NIDA NIH HHS R01 DA063209NIDA NIH HHS R21 DA059420NIH HHS S10 OD026880NIH HHS S10 OD030463
6 · The paper itself

Abstract

G-protein-coupled receptors (GPCRs) are a large family of membrane proteins that mediate cellular responses to diverse stimuli and serve as targets for ∼35 % of Food and Drug Administration-approved drugs. Their structural complexity, conformational heterogeneity, and membrane embedding have historically hindered experimental characterization, although advances in crystallization and cryogenic electron microscopy have expanded access to high-resolution receptor structures. In parallel, artificial intelligence (AI) has transformed protein modeling and drug discovery as recognized by the 2024 Nobel Prize in Chemistry. This minireview highlights recent applications of AI to GPCR research (2023-2025), including structure prediction, virtual screening, generative design of small molecules and protein binders, mechanistic studies using molecular dynamics, and systems-level analyses. Together, these approaches are reshaping GPCR biology and accelerating next-generation drug discovery.

Indexed as

Artificial IntelligenceDrug DiscoveryModels, MolecularReceptors, G-Protein-CoupledHumansProtein ConformationReceptors, G-Protein-Coupled

Identifiers

PMID41825109
PMCPMC13002135

What OpenQuestion holds

Textmetadata
LicenceTDM
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.