Evidence map›Paper›PMID 41628231›Full record

ArticlePloS one2026

In-silico characterization of deleterious non-synonymous SNPs in the human S1PR1 gene reveals structural instability and altered ligand affinity.

Sangram Biswas, Dipankar Sardar, Md Arju Hossain, Soharth Hasnat, Arif Hossain Ramjan, Ummah Kulsum Nazifa, Fatema-Tuz Zohora, Ishrat Jahan Esha, Chandrika Mondal, Abdul Barik and 1 more

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Article in PloS one, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

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3 · Its place in the literature

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4 · The record

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5 · Who and what money

Authors and funding

11 authors.

Sangram BiswasDepartment of Biotechnology, Bangladesh Agricultural University, Mymensingh, Bangladesh.
Dipankar SardarDepartment of Biotechnology, Bangladesh Agricultural University, Mymensingh, Bangladesh.
Md Arju HossainDepartment of Biochemistry and Biotechnology, Khwaja Yunus Ali University, Sirajganj, Bangladesh.
Soharth HasnatMolecular Biology and Bioinformatics Laboratory, Department of Gynecology, Obstetrics and Reproductive Health, Gazipur Agricultural University, Gazipur, Bangladesh.ORCID https://orcid.org/0009-0008-3595-1179
Arif Hossain RamjanDepartment of Pharmacy, Mawlana Bhashani Science and Technology University, Tangail, Bangladesh.
Ummah Kulsum NazifaDepartment of Biotechnology, Bangladesh Agricultural University, Mymensingh, Bangladesh.
Fatema-Tuz ZohoraDepartment of Biotechnology, Bangladesh Agricultural University, Mymensingh, Bangladesh.
Ishrat Jahan EshaDepartment of Biotechnology, Bangladesh Agricultural University, Mymensingh, Bangladesh.
Chandrika MondalDepartment of Fisheries Biology and Genetics, Bangladesh Agricultural University, Mymensingh, Bangladesh.
Abdul BarikDepartment of Biotechnology, Bangladesh Agricultural University, Mymensingh, Bangladesh.
M Nazmul HoqueMolecular Biology and Bioinformatics Laboratory, Department of Gynecology, Obstetrics and Reproductive Health, Gazipur Agricultural University, Gazipur, Bangladesh.ORCID https://orcid.org/0000-0002-4861-0030

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

S1PR1 is a G protein-coupled receptor that plays a key role in regulating lymphocyte trafficking, immune response, cardiovascular system function, cell proliferation and survival, tumor angiogenesis, and metastasis. It is also recognized as a pharmacotherapeutic target for the treatment of autoimmune diseases like relapsing multiple sclerosis and ulcerative colitis. This study aimed to identify deleterious non-synonymous single nucleotide polymorphisms (nsSNPs) in the S1PR1 gene that may impact its functional properties and pharmacotherapeutic responses though in-silico approaches. A total of 3,259 SNPs were identified in the human S1PR1 gene, with 6.51% being non-synonymous (nsSNPs). Functional predictions from eight computational tools prioritized 25 deleterious variants. Further structural and evolutionary evaluation highlighted R120P, F125S, C184Y, Y198C, and L275P as the most damaging nsSNPs. These mutations were found to cluster within the seven-transmembrane (7-TM) domain (residues 46-322), directly affecting receptor stability and signaling. Structural modeling revealed disrupted hydrogen bonds, void formations, and loss of critical disulfide bonding (C184Y), severely compromising folding. Conservation analysis confirmed R120P, F125S, and C184Y as highly conserved (score 9), underscoring their functional importance. Molecular docking and dynamics simulations showed that R120P and F125S weaken binding affinity for natural agonist sphingosine-1-phosphate (S1P) and FTY720P, while antagonist W146 retained strong binding. Our analysis further revealed significant changes in binding interactions and protein-ligand complex stability under simulated physiological conditions. Collectively, these findings identified high-risk nsSNPs in S1PR1 gene with potential structural and functional implications, particularly in diseases involving impaired receptor signaling. These findings enhanced our understanding of how specific nsSNPs can influence disease susceptibility, drug response, and receptor function, paving the way for precision medicine approaches in treating autoimmune and inflammatory disorders.

Indexed as

Polymorphism, Single NucleotideReceptors, LysosphingolipidComputer SimulationFingolimod HydrochlorideHumansLigandsLysophospholipidsModels, MolecularMolecular Docking SimulationMolecular Dynamics SimulationProtein BindingProtein StabilitySphingosineSphingosine-1-Phosphate ReceptorsFingolimod HydrochlorideLigandsLysophospholipidsReceptors, LysosphingolipidS1PR1 protein, humanSphingosinesphingosine 1-phosphateSphingosine-1-Phosphate Receptors

Identifiers

PMID41628231
PMCPMC12863678

What Socratic holds

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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 Socratic graph.