ArticleMolecular and cellular biochemistry2021
In silico molecular docking and physicochemical property studies on effective phytochemicals targeting GPR116 for breast cancer treatment.
Article in Molecular and cellular biochemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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12 citing papers in PubMed, 26 citations in OpenAlex.
- Establishing FDA-approved oncology drugs as GPR176 inhibitor through homology modelling, molecular docking, MMGBSA, DFT, and molecular dynamics simulation.Scientific reports · 2026Article
- In silico investigation of Toxicodendron succedaneum phytochemicals as extracellular signal-regulated kinase 2 inhibitors for non-small cell lung cancer therapy.Medical oncology (Northwood, London, England) · 2025Article
- Review
- A Network Pharmacology Identified Metastasis Target for Oral Squamous Cell Carcinoma Originating from Breast Cancer with a Potential Inhibitor fromPharmaceuticals (Basel, Switzerland) · 2024Article
- GPR116 alleviates acetaminophen-induced liver injury in mice by inhibiting endoplasmic reticulum stress.Cellular and molecular life sciences : CMLS · 2024Article
- The adhesion-GPCR ADGRF5 fuels breast cancer progression by suppressing the MMP8-mediated antitumorigenic effects.Cell death & disease · 2024Article
- Computational Characterization of Membrane Proteins as Anticancer Targets: Current Challenges and Opportunities.International journal of molecular sciences · 2024Review
- Article
- Overcoming the Challenges of Phytochemicals in Triple Negative Breast Cancer Therapy: The Path Forward.Plants (Basel, Switzerland) · 2023Review
- The clinical relevance of the adhesion G protein-coupled receptor F5 for human diseases and cancers.Biochimica et biophysica acta. Molecular basis of disease · 2023Review
- Article
- Article
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Authors and funding
3 authors at 2 institutions in 1 country.
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No grant is acknowledged in the PubMed record.
Abstract
G protein-coupled receptor 116 (GPR116), an orphan adhesion receptor, found an important role in cell adhesion and migration in eukaryotes. Abnormal expression of GPCR identified in various cancers turns focus of research community towards GPCR to identify the targeting drug against GPCR. Though GPR116 role was studied in progression of metastasis in triple-negative breast cancer (TNBC), unfortunately, still no drugs targeting GPR116 were identified. TNBC is a hormone-negative aggressive breast cancer found even in young women. Since TNBC has no target receptor for therapy, it would be desirable to target GPR116. Currently, chemotherapy is the only promising option for TNBC; however, these drugs cause chemoresistance. Hence this current study concentrated on finding drugable natural phytochemical ligands targeting GPR116 using in silico approach. Best docked ligand with target and active binding site amino acids were identified in molecular docking study. Pharmacokinetic properties (ADME) were assessed by Qikprop. Result showed that pharmacokinetics properties of natural phytochemicals were as good as existing chemotherapeutic cancer drugs. This study indicates that phytochemicals could be a promising target for GPR116. This in silico analysis facilitates further research to design the drug targeting GPR116 for treatment of TNBC.
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