ArticleMolecules (Basel, Switzerland)2022
Quantitative and Qualitative Analysis of the Anti-Proliferative Potential of the Pyrazole Scaffold in the Design of Anticancer Agents.
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 9 papers.
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Who cites it
9 citing papers in PubMed.
- Heterocycles in Medicinal Chemistry III.Molecules (Basel, Switzerland) · 2026Article
- SPLIF-Enhanced Attention-Driven 3D CNNs for Precise and Reliable Protein-Ligand Interaction Modeling for METTL3.ACS omega · 2025Article
- Design and Synthesis of 1,3-Diarylpyrazoles and Investigation of Their Cytotoxicity and Antiparasitic Profile.International journal of molecular sciences · 2024Article
- The Importance of the Pyrazole Scaffold in the Design of Protein Kinases Inhibitors as Targeted Anticancer Therapies.Molecules (Basel, Switzerland) · 2023Review
- Discovery of Novel Dimeric Pyridinium Bromide Analogues Inhibits Cancer Cell Growth by Activating Caspases and Downregulating Bcl-2 Protein.ACS omega · 2023Article
- Pyrazole-based lamellarin O analogues: synthesis, biological evaluation and structure-activity relationships.RSC advances · 2023Article
- ZINC-22─A Free Multi-Billion-Scale Database of Tangible Compounds for Ligand Discovery.Journal of chemical information and modeling · 2023Article
- Discovery of 3-Amino-1International journal of molecular sciences · 2022Article
- New Pyrrole Derivatives as Promising Biological Agents: Design, Synthesis, Characterization, In Silico, and Cytotoxicity Evaluation.International journal of molecular sciences · 2022Article
Corrections and comments
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Authors and funding
1 author.
Funding
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Abstract
The current work presents an objective overview of the impact of one important heterocyclic structure, the pyrazole ring, in the development of anti-proliferative drugs. A set of 1551 pyrazole derivatives were extracted from the National Cancer Institute (NCI) database, together with their growth inhibition effects (GI%) on the NCI's panel of 60 cancer cell lines. The structures of these derivatives were analyzed based on the compounds' averages of GI% values across NCI-60 cell lines and the averages of the values for the outlier cells. The distribution and the architecture of the Bemis-Murcko skeletons were analyzed, highlighting the impact of certain scaffold structures on the anti-proliferative effect's potency and selectivity. The drug-likeness, chemical reactivity and promiscuity risks of the compounds were predicted using AMDETlab. The pyrazole ring proved to be a versatile scaffold for the design of anticancer drugs if properly substituted and if connected with other cyclic structures. The 1,3-diphenyl-pyrazole emerged as a useful scaffold for potent and targeted anticancer candidates.
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Registered trials
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