ArticlePloS one2022
Phytoconstituents of traditional Himalayan Herbs as potential inhibitors of Human Papillomavirus (HPV-18) for cervical cancer treatment: An In silico Approach.
Article in PloS one, 2022. 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, 36 citations in OpenAlex.
- Comparative analysis of phytocompounds and repurposed drugs against dengue virus serotypes employing an in silico study.Scientific reports · 2025Article
- Genetic analysis of HPV-16 L1 gene mutations and computational screening of therapeutic inhibitors for cervical cancer treatment.Medical oncology (Northwood, London, England) · 2025Article
- Computational analysis of Ayurvedic herbs to explore their potential role as anti-cervical cancer agents.Molecular biology research communications · 2025Article
- In-silico study unveils potential phytocompounds in Andrographis paniculata against E6 protein of the high-risk HPV-16 subtype for cervical cancer therapy.Scientific reports · 2024Article
- Identification of novel AKT1 inhibitors from Sapria himalayana bioactive compounds using structure-based virtual screening and molecular dynamics simulations.BMC complementary medicine and therapies · 2024Article
- Antibacterial activity of a novel compound isolated from Bacillus licheniformis for treating bacterial infections in fishes: An in-silico approach.Molecular and cellular biochemistry · 2023Article
- Citrus limon phytocompounds decorated nanoparticles control poultry pathogens.Archives of microbiology · 2023Article
- Tracking HPV Infection, Associated Cancer Development, and Recent Treatment Efforts-A Comprehensive Review.Vaccines · 2023Review
- Comparative docking studies of drugs and phytocompounds for emerging variants of SARS-CoV-2.3 Biotech · 2023Article
- Health Benefits and Pharmacological Properties of Stigmasterol.Antioxidants (Basel, Switzerland) · 2022Review
- Antibacterial Potential ofMolecules (Basel, Switzerland) · 2022Article
- AnMolecules (Basel, Switzerland) · 2022Article
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12 authors at 8 institutions in 4 countries.
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Abstract
Human papillomavirus (HPV) induced cervical cancer is becoming a major cause of mortality in women. The present research aimed to identify the natural inhibitors of HPV-18 E1 protein (1R9W) from Himalayan herbs with lesser toxicity and higher potency. In this study, one hundred nineteen phytoconstituents of twenty important traditional medicinal plants of Northwest Himalayas were selected for molecular docking with the target protein 1R9W of HPV-18 E1 Molecular docking was performed by AutoDock vina software. ADME/T screening of the bioactive phytoconstituents was done by SwissADME, admetSAR, and Protox II. A couple of best protein-ligand complexes were selected for 100 ns MD simulation. Molecular docking results revealed that among all the selected phytoconstituents only thirty-five phytoconstituents showed the binding affinity similar or more than the standard anti-cancer drugs viz. imiquimod (-6.1 kJ/mol) and podofilox (-6.9 kJ/mol). Among all the selected thirty-five phytoconstituents, eriodictyol-7-glucuronide, stigmasterol, clicoemodin and thalirugidine showed the best interactions with a docking score of -9.1, -8.7, -8.4, and -8.4 kJ/mol. Based on the ADME screening, only two phytoconstituents namely stigmasterol and clicoemodin selected as the best inhibitor of HPV protein. MD simulation study also revealed that stigmasterol and clicoemodin were stable inside the binding pocket of 1R9W, Stigmasterol and clicoemodin can be used as a potential investigational drug to cure HPV infections.
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