ArticleJournal of the Taiwan Institute of Chemical Engineers2015
Establishment of a screening protocol for identification of aminopeptidase N inhibitors.
Article in Journal of the Taiwan Institute of Chemical Engineers, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed, 16 citations in OpenAlex.
- Identification of potential methyltransferase NSD2 enzymatic inhibitors through a multi-step structure-based drug design.Molecular diversity · 2025Article
- In-Silico discovery of novel cephalosporin antibiotic conformers via ligand-based pharmacophore modelling and de novo molecular design.Journal, genetic engineering & biotechnology · 2025Article
- Novel dual-targeting inhibitors of NSD2 and HDAC2 for the treatment of liver cancer: structure-based virtual screening, molecular dynamics simulation, andJournal of enzyme inhibition and medicinal chemistry · 2024Article
- Pharmacophore-Oriented Identification of Potential Leads as CCR5 Inhibitors to Block HIV Cellular Entry.International journal of molecular sciences · 2022Article
- Discovery of a novel cyclin-dependent kinase 8 inhibitor with an oxindole core for anti-inflammatory treatment.Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie · 2022Article
- Discovery of Novel and Highly Potent Inhibitors of SARS CoV-2 Papain-Like Protease Through Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking, Molecular Dynamics Simulations, and Biological Evaluation.Frontiers in pharmacology · 2022Article
- Structure-Based Virtual Screening and Biological Evaluation of Peptide Inhibitors for Polo-Box Domain.Molecules (Basel, Switzerland) · 2019Article
- Discovery of a Potent PLK1-PBD Small-Molecule Inhibitor as an Anticancer Drug Candidate through Structure-Based Design.Molecules (Basel, Switzerland) · 2019Article
- Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking and Biological Evaluation for Identification of Potential Poly (ADP-Ribose) Polymerase-1 (PARP-1) Inhibitors.Molecules (Basel, Switzerland) · 2019Article
- Structure-Based Pharmacophore Design and Virtual Screening for Novel Tubulin Inhibitors with Potential Anticancer Activity.Molecules (Basel, Switzerland) · 2019Article
- Novel Linear Peptides with High Affinity to αvβ3 Integrin for Precise Tumor Identification.Theranostics · 2017Article
Corrections and comments
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Authors and funding
5 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Inhibitors of aminopeptidase N (APN) have been thought as potential drugs for the treatment of tumor angiogenesis, invasion and metastasis and a considerable number of APN inhibitors have been reported recently. To clarify the essential structure-activity relationship for the APN inhibitors as well as identify new potent leads against APN, pharmacophore models were established using structure- and common feature-based approaches and validated with a database of active and inactive compounds. These validated pharmacophores were then used in database screening for novel virtual leads. The hit compounds were further subjected to molecular docking studies to refine the retrieved hits. Finally, six structurally diverse compounds that showed strong interactions with the key amino acids and the zinc ion were selected for biological evaluation, where two hits showed more than 70% inhibition against APN at 60 μM concentration. The evaluation results show the potential of our screening approach in identifying APN inhibitors.
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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.