Discover Community Create You

Loading publication...

Noodle always counts identifier-free feature events for service operation. With your permission, Google Analytics can also estimate audience and engagement. Search text, publication identifiers, cookies, IP addresses and browser fingerprints are never included in Noodle's first-party event counters.

Privacy details

Article

Discovery of Nirmatrelvir Resistance Mutations in SARS-CoV-2 3CLpro: A Computational-Experimental Approach.

Journal of chemical information and modeling - 27 Nov 2023

Havranek Brandon, Demissie Robel, Lee Hyun, Lan Shuiyun, Zhang Huanchun, Sarafianos Stefanos, Ayitou Anoklase Jean-Luc, Islam Shahidul M

Abstract excerpt

The COVID-19 pandemic has emphasized the urgency for effective antiviral therapies against SARS-CoV-2. Targeting the main protease (3CLpro) of the virus has emerged as a promising approach, and nirmatrelvir (PF-07321332), the active component of Pfizer's oral drug Paxlovid, has demonstrated remarkable clinical efficacy. However, the emergence of resistance mutations poses a challenge to its continued success. In...

Read the complete abstract on PubMed

Topics

Share this publication in a Topic to start or enrich a Post.

Share to Antiviral Agents
Share to Computational Drug Discovery Methods

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to COVID-19

Share to Mutation

Share to Pandemics

Share to SARS-CoV-2

Share to SARS-CoV-2 and COVID-19 Research

Share to thermodynamics and calorimetric analyses

Source

Open in PubMed Open full text

Identifiers

PMID: 37947496
DOI: 10.1021/acs.jcim.3c01269
PMCID: PMC10976418

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Discovery of Nirmatrelvir Resistance Mutations in SARS-CoV-2 3CLpro: A Computational-Experimental Approach.PMID 37947496Read ↗

Predicting Nirmatrelvir Resistance in SARS-CoV-2 Mpro Mutants with an Integrated Computational Framework.Semantic proximity Read ↗

Predicting Antiviral Resistance Mutations in SARS-CoV-2 Main Protease with Computational and Experimental Screening.Semantic proximity Read ↗

Naturally Occurring Mutations of SARS-CoV-2 Main Protease Confer Drug Resistance to NirmatrelvirSemantic proximity Read ↗

Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.Semantic proximity Read ↗

The substitutions L50F, E166A and L167F in SARS-CoV-2 3CLpro are selected by a protease inhibitor <i>in vitro</i> and confer resistance to nirmatrelvirSemantic proximity Read ↗

Hotspot residues and resistance mutations in the nirmatrelvir-binding site of SARS-CoV-2 main protease: Design, identification, and correlation with globally circulating viral genomes.Semantic proximity Read ↗

Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of NirmatrelvirSemantic proximity Read ↗

An Integrative Approach to Dissect the Drug Resistance Mechanism of the H172Y Mutation of SARS-CoV-2 Main ProteaseSemantic proximity Read ↗

High-throughput rational design of the remdesivir binding site in the RdRp of SARS-CoV-2: implications for potential resistanceSemantic proximity Read ↗

SARS-CoV-2 3CLpro mutations T21I and E166A confer differential resistance to simnotrelvir, bofutrelvir, and ensitrelvir.Semantic proximity Read ↗

Assessment of a Computational Approach to Predict Drug Resistance Mutations for HIV, HBV and SARS-CoV-2.Semantic proximity Read ↗

Structural basis for varying drug resistance of SARS-CoV-2 Mpro E166 variants.Semantic proximity Read ↗

⌁Select a neighboring publication to make it the new centre.