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Assessing the Performance of In silico Tools and Molecular Dynamics Simulations for Predicting Pharmacogenetic Variant Impact.

Clinical pharmacology and therapeutics - 1 Oct 2024

AlSaeed Maryam Jamal, Ramdhan Peter, Malave Jean Gabriel, Eljilany Islam, Langaee Taimour, McDonough Caitrin W, Seabra Gustavo, Li Chenglong, Cavallari Larisa H

Abstract excerpt

The ability of freely available in silico tools to predict the effect of non-synonymous single nucleotide polymorphisms (nsSNPs) in pharmacogenes on protein function is not well defined. We assessed the performance of seven sequence-based (SIFT, PolyPhen2, mutation accessor, FATHMM, PhD-SNP, MutPred2, and SNPs & Go) and five structure-based (mCSM, SDM, DDGun, CupSat, and MAESTROweb) tools in predicting the impact...

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Source

Identifiers

PMID: 38894625
DOI: 10.1002/cpt.3348

Genes

CYP2C9
CYP2B6
CYP2C19
DPYD

Variants

Provenance

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