ArticleMolecules (Basel, Switzerland)2022
Computational Identification of Druggable Bioactive Compounds from
Article in Molecules (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed, 45 citations in OpenAlex.
- Integrated Molecular Docking and Molecular Dynamics Approaches Reveal Potential Antimicrobial Metabolites from Echinoderms,Biology · 2026Article
- Novel sugar-conjugated Knoevenagel condensate curcumin derivatives as promising bioactive hybrids with antimalarial potential.RSC advances · 2026Article
- Bridging mechanism and design: modern medicinal chemistry approaches to thymidylate synthase inhibitors.RSC advances · 2026Review
- Antimalarial potential of curcumin derivatives evaluated through experimental and computational approaches.Scientific reports · 2025Article
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- Design and in Silico evaluation of 3',4'-Dimethoxy flavonol as promising SARS-CoV-2 main protease (MIn silico pharmacology · 2025Article
- Cheminformatics-based screening and evaluation of phytochemicals as CDK2 inhibitors in colorectal cancer therapy.PloS one · 2025Article
- Inhibitory effects of carvacrol on glucansucrase fromTurkish journal of biology = Turk biyoloji dergisi · 2025Article
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- Identification of natural antimicrobial peptides mimetic to inhibit CaJournal of bioenergetics and biomembranes · 2024Article
- 6-Octadecenoic and Oleic Acid in Liquid Smoke Rice Husk Showed COVID-19 Inhibitor Properties.Advances in pharmacological and pharmaceutical sciences · 2024Article
- Antiviral Activity, Pharmacoinformatics, Molecular Docking, and Dynamics Studies ofBioinformatics and biology insights · 2024Article
- Exploring Substituted Tetrazoloquinazoline: Biological Activities, Molecular Docking Analysis, and Anti-Breast Cancer MCF7/HER2 Effects.Advances in pharmacological and pharmaceutical sciences · 2024Article
- Marine-derived sea urchin compounds as potential anti-cancer drug candidate against colorectal cancer:Saudi journal of biological sciences · 2023Article
- Mining therapeutic targets from the antibiotic-resistant Campylobacter coli and virtual screening of natural product inhibitors against its riboflavin synthase.Molecular diversity · 2023Article
- Anticancer Activities of Re(I) Tricarbonyl and Its Imidazole-Based Ligands: Insight from a Theoretical Approach.ACS omega · 2023Article
- Integrative Ligand-Based Pharmacophore Modeling, Virtual Screening, and Molecular Docking Simulation Approaches Identified Potential Lead Compounds against Pancreatic Cancer by Targeting FAK1.Pharmaceuticals (Basel, Switzerland) · 2023Article
- Identification of natural antiviral drug candidates against Tilapia Lake Virus: Computational drug design approaches.PloS one · 2023Article
- Dostarlimab as a Miracle Drug: Rising Hope against Cancer Treatment.Biosensors · 2022Review
- A study on DNA methylation modifying natural compounds identified EGCG for induction of IFI16 gene expression related to the innate immune response in cancer cells.Oncology letters · 2022Article
Corrections and comments
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Authors and funding
16 authors at 5 institutions in 5 countries.
Funding
Abstract
Colorectal cancer (CRC) is the second most common cause of death worldwide, affecting approximately 1.9 million individuals in 2020. Therapeutics of the disease are not yet available and discovering a novel anticancer drug candidate against the disease is an urgent need. Thymidylate synthase (TS) is an important enzyme and prime precursor for DNA biosynthesis that catalyzes the methylation of deoxyuridine monophosphate (dUMP) to deoxythymidine monophosphate (dTMP) that has emerged as a novel drug target against the disease. Elevated expression of TS in proliferating cells promotes oncogenesis as well as CRC. Therefore, this study aimed to identify potential natural anticancer agents that can inhibit the activity of the TS protein, subsequently blocking the progression of colorectal cancer. Initially, molecular docking was implied on 63 natural compounds identified from
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Registered trials
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 OpenQuestion graph.