ArticleComputational and mathematical methods in medicine2015
In silico design of human IMPDH inhibitors using pharmacophore mapping and molecular docking approaches.
Article in Computational and mathematical methods in medicine, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
10 citing papers in PubMed.
- Design, synthesis, and biological evaluation of coumarin derivatives against tuberculosis: a pharmacophore-based approach.Molecular diversity · 2026Article
- Design and Synthesis of Mycophenolic Acid Analogues for Osteosarcoma Cancer Treatment.ACS bio & med chem Au · 2025Article
- Application of Mathematical Modeling and Computational Tools in the Modern Drug Design and Development Process.Molecules (Basel, Switzerland) · 2022Review
- Identification of Potent and Selective JAK1 Lead Compounds Through Ligand-Based Drug Design Approaches.Frontiers in pharmacology · 2022Article
- Article
- Design, synthesis, and structure activity relationship analysis of new betulinic acid derivatives as potent HIV inhibitors.European journal of medicinal chemistry · 2021Article
- Ligand-based pharmacophore modeling, virtual screening and biological evaluation to identify novel TGR5 agonists.RSC advances · 2021Article
- Novel glitazones as PPARγ agonists: molecular design, synthesis, glucose uptake activity and 3D QSAR studies.Chemistry Central journal · 2018Article
- Computational Insight into Protein Tyrosine Phosphatase 1B Inhibition: A Case Study of the Combined Ligand- and Structure-Based Approach.Computational and mathematical methods in medicine · 2017Article
- In silico study of subtilisin-like protease 1 (SUB1) from different Plasmodium species in complex with peptidyl-difluorostatones and characterization of potent pan-SUB1 inhibitors.Journal of molecular graphics & modelling · 2016Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Inosine 5'-monophosphate dehydrogenase (IMPDH) is one of the crucial enzymes in the de novo biosynthesis of guanosine nucleotides. It has served as an attractive target in immunosuppressive, anticancer, antiviral, and antiparasitic therapeutic strategies. In this study, pharmacophore mapping and molecular docking approaches were employed to discover novel Homo sapiens IMPDH (hIMPDH) inhibitors. The Güner-Henry (GH) scoring method was used to evaluate the quality of generated pharmacophore hypotheses. One of the generated pharmacophore hypotheses was found to possess a GH score of 0.67. Ten potential compounds were selected from the ZINC database using a pharmacophore mapping approach and docked into the IMPDH active site. We find two hits (i.e., ZINC02090792 and ZINC00048033) that match well the optimal pharmacophore features used in this investigation, and it is found that they form interactions with key residues of IMPDH. We propose that these two hits are lead compounds for the development of novel hIMPDH inhibitors.
Indexed as
Identifiers
What OpenQuestion holds
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.