ArticleBioinformation2018
Molecular docking based screening of Noggin inhibitors.
Article in Bioinformation, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
What it found
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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.
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Who cites it
11 citing papers in PubMed, 20 citations in OpenAlex.
- Exploring the Potential of Natural Products as FoxO1 Inhibitors: anBiomolecules & therapeutics · 2024Article
- Identification of Novel Tau-Tubulin Kinase 2 Inhibitors Using Computational Approaches.ACS omega · 2023Article
- In Silico Methods for Identification of Potential Active Sites of Therapeutic Targets.Molecules (Basel, Switzerland) · 2022Review
- Virtual Screening of Natural Chemical Databases to Search for Potential ACE2 Inhibitors.Molecules (Basel, Switzerland) · 2022Article
- Insights from the molecular docking analysis of colistin with the PmrA protein model from Acinetobacter baumannii.Bioinformation · 2022Article
- Targeting the Autophagy Specific Lipid Kinase VPS34 for Cancer Treatment: An Integrative Repurposing Strategy.The protein journal · 2021Article
- Novel Elongator Protein 2 Inhibitors Mitigating Tumor Necrosis Factor-BioMed research international · 2021Article
- Article
- Discovery of novel elongator protein 2 inhibitors by compound library screening using surface plasmon resonance.RSC advances · 2019Article
- Low-intensity pulsed ultrasound stimulation facilitatesBioscience reports · 2018Article
- Article
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 at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Noggin (NOG) a BMP (bone morphogenetic protein) antagonist plays a key role in preferentially driving a subset of breast cancer cells towards the bone and causing osteolytic lesions leading to severe pain and discomfort in the patients. Owing to its role in bone metastasis, NOG could be promising molecular target in bone metastasis and that identifying small molecule inhibitors could aid in the treatment. Towards identifying cognate inhibitors of NOG, structure based virtual screen was employed. A total of 8.5 million ligands from e-molecule database were screened at a novel binding site on NOG identified by the Sitemap tool, employing GLIDE algorithm. Potential eight molecules were selected based on the Glide score, binding mode and H-bond interactions. Free energy of binding was calculated using Molecular mechanics based MMGBSA and the obtained energy was used in the prioritizing the compounds with the similar structures and glide score. Further, the compounds were evaluated for their druggability employing physico-chemical property analysis. Our study helped in identifying novel potential NOG inhibitors that can further be validated using in-vivo and in-vitro studies and these molecules can also be employed as tool compounds to study the functions of BMP.
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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.