ArticleScientific reports2017
Structure Based docking studies towards exploring potential anti-androgen activity of selected phytochemicals against Prostate Cancer.
Article in Scientific reports, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 32 papers.
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Who cites it
32 citing papers in PubMed, 79 citations in OpenAlex.
- Nano-phytochemical-based formulations as promising opportunities for prostate cancer therapy and management: a comprehensive narrative review.Medical oncology (Northwood, London, England) · 2025Review
- Rapid Dereplication of Trunk Bark Constituents ofInternational journal of molecular sciences · 2025Article
- Study of Glabranin as an Inhibitor Against Prostate Cancer: Molecular Docking, Molecular Dynamics Simulation, MM-PBSA Calculation and QSAR Prediction.Indian journal of clinical biochemistry : IJCB · 2024Article
- Potential Antioxidant and Anti-Inflammatory Properties of Polyphenolic Compounds fromInternational journal of molecular sciences · 2024Article
- Structure based docking and biological evaluation towards exploring potential anti-cancerous and apoptotic activity of 6-Gingerol against human prostate carcinoma cells.BMC complementary medicine and therapies · 2024Article
- Molecular docking analysis of breast cancer target RAC1B with ligands.Bioinformation · 2024Article
- In vitro combination effects of plant-derived quercetin with synthetic bicalutamide on prostate cancer and normal cell lines: in silico comparison.In silico pharmacology · 2024Article
- Potential Antioxidant and Anti-Inflammatory Effects ofAntioxidants (Basel, Switzerland) · 2023Article
- Flavones: The Apoptosis in Prostate Cancer of Three Flavones Selected as Therapeutic Candidate Models.International journal of molecular sciences · 2023Review
- Article
- Brazilian Berry Extract Differentially Induces Inflammatory and Immune Responses in Androgen Dependent and Independent Prostate Cancer Cells.Journal of cancer prevention · 2022Article
- Catabolic profiling of selective enzymes in the saccharification of non-food lignocellulose parts of biomass into functional edible sugars and bioenergy: AnJournal of advanced veterinary and animal research · 2022Article
- Effects of non-essential protein on D-glucose to control diabetes: DFT approach.Journal of molecular modeling · 2022Article
- Molecular Modeling Studies of Natural Inhibitors of Androgen Signaling in Prostate Cancer.Cancer informatics · 2022Article
- A Report on Multi-Target Anti-Inflammatory Properties of Phytoconstituents fromMolecules (Basel, Switzerland) · 2021Article
- Toxicity evaluation ofToxicology reports · 2021Article
- Dihydroartemisinin Suppresses the Tumorigenesis and Cycle Progression of Colorectal Cancer by Targeting CDK1/CCNB1/PLK1 Signaling.Frontiers in oncology · 2021Article
- Investigation on the metabolic characteristics of isobavachin in Psoralea corylifolia L. (Bu-gu-zhi) and its potential inhibition against human cytochrome P450s and UDP-glucuronosyltransferases.The Journal of pharmacy and pharmacology · 2020Article
- HR-LCMS-Based Metabolite Profiling, Antioxidant, and Anticancer Properties ofAntioxidants (Basel, Switzerland) · 2020Article
- Computational and In Vitro Investigation of (-)-Epicatechin and Proanthocyanidin B2 as Inhibitors of Human Matrix Metalloproteinase 1.Biomolecules · 2020Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Prostate cancer (PCa) is the second most common malignancy amongst men worldwide. Under PCa maintenance therapy drugs acting as antagonists/partial agonists of hormone receptors against the prostate tissue are used in clinical practices. Prominent drugs being Cyproterone acetate, Flutamide, Bicalutamide, they not only cause acute and long-term toxicity, but also develops drug resistance among patients. Our focus has been on phytochemicals which do not exhibit any cytotoxicity and have significant androgen receptor (AR) inhibition activity. As Protein- Ligand interactions play a key role in structure based drug design, so by using molecular docking, we screened 803 phytochemicals and investigated their binding affinity against AR. The three dimensional (3D) structure of AR was retrieved from Protein Data Bank, and docked with 3D Pubchem structures of 803 phytochemicals using Argus Lab. Molecular docking and drug likeness studies were made using ADMET properties while Lipinski's rule of five was performed for the phytochemicals to evaluate their anti-prostate cancer activity. The results showed that Isobavachin exhibited best binding affinity of -13.73 kcal/mol with AR followed by Glabranin, Anthocyanin and Eriosemation. Our studies therefore reveal that these four phytochemicals could be promising candidates for further evaluation for PCa prevention or management.
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