ArticleComputational and structural biotechnology journal2019
Ligand-based Pharmacophore Modeling, Virtual Screening and Molecular Docking Studies for Discovery of Potential Topoisomerase I Inhibitors.
Article in Computational and structural biotechnology journal, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 54 papers, 1 of them a synthesis that pooled it.
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Who cites it
54 citing papers in PubMed, 1 synthesis or guideline pooled it, 189 citations in OpenAlex.
- Ligand and structure-based virtual screening approaches in drug discovery: minireview.Molecular diversity · 2025Pooled it
- Cheminformatics-driven discovery of natural isoquinoline alkaloid inhibitors of Beta-secretase I for Alzheimer's management.PloS one · 2026Article
- Designing Novel Compound Candidates Against SARS-CoV-2 Using Generative Deep Neural Networks and Cheminformatics.International journal of molecular sciences · 2025Article
- Ligand-based discovery of novel N-arylpyrrole derivatives as broad-spectrum antimicrobial agents with antibiofilm and anti-virulence activity.Journal of enzyme inhibition and medicinal chemistry · 2025Article
- Molecular modeling to simulation: insights into Gaussian QSAR, molecular docking, and DFT for identification of HDAC3 inhibitors for neurocognitive vascular dementia.Scientific reports · 2025Article
- Identification and interaction mechanism of novel small molecule antagonists targeting CC chemokine receptor 1/3/5 for treatment of non-small cell lung cancer.Molecular diversity · 2025Article
- Machine Learning for Multi-Target Drug Discovery: Challenges and Opportunities in Systems Pharmacology.Pharmaceutics · 2025Review
- Discovery of SARS-CoV-2 Nsp14-Methyltransferase (MTase) Inhibitors by Harnessing Scaffold-Centric Exploration of the Ultra Large Chemical Space.ACS pharmacology & translational science · 2025Article
- Design and bioactivity evaluation of a novel autotaxin inhibitor with anti-hepatic fibrosis effects.Scientific reports · 2025Article
- QSAR, Antimicrobial, and Antiproliferative Study of (ACS omega · 2025Article
- Applications of Machine Learning Approaches for the Discovery of SARS-CoV-2 PLpro Inhibitors.Journal of chemical information and modeling · 2025Article
- Identification of dual inhibitors of ROCK1 and TGFBR1 for overcoming metastasis: an integrated pharmacophore and docking driven CADD strategy.In silico pharmacology · 2025Article
- Multilayered screening for multi-targeted anti-Alzheimer's and anti-Parkinson's agents through structure-based pharmacophore modelling, MCDM, docking, molecular dynamics and DFT: a case study of HDAC4 inhibitors.In silico pharmacology · 2025Article
- Importance of Computer-aided Drug Design in Modern Pharmaceutical Research.Current drug discovery technologies · 2025Review
- Pharmacophore modeling: advances and pitfalls.Frontiers in molecular biosciences · 2025Review
- Article
- Artificial Intelligence-Driven Computational Approaches in the Development of Anticancer Drugs.Cancers · 2024Article
- Identification of novel PAD2 inhibitors using pharmacophore-based virtual screening, molecular docking, and MD simulation studies.Scientific reports · 2024Article
- Regulatory Role of IL6 in Immune-Related Adverse Events during Checkpoint Inhibitor Treatment in Melanoma.International journal of molecular sciences · 2024Article
- Article
Corrections and comments
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Authors and funding
7 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Camptothecin (CPT), a natural product and its synthetic derivatives exert potent anticancer activity by selectively targeting DNA Topoisomerase I (Top1) enzyme. CPT and its clinically approved derivatives are used as Top1 poisons for cancer therapy suffer from many limitations related to stability and toxicity. In order to envisage structurally diverse novel chemical entity as Top1 poison with better efficacy, Ligand-based-pharmacophore model was developed using 3D QSAR pharmacophore generation (
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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.