A novel computational drug repurposing approach for Systemic Lupus Erythematosus (SLE) treatment using Semantic Web technologies
Sign Up to like & getrecommendations! Published in 2021 at "Saudi Journal of Biological Sciences"
DOI: 10.1016/j.sjbs.2021.03.068
Abstract: https://doi.org/10.1016/j.sjbs.2021.03.068 1319-562X/ 2021 The Author(s). Published by Elsevier B.V. on behalf of King Saud University. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). ⇑ Corresponding author at: Department of Clinical Pharmacy,… read more here.
Keywords: systemic lupus; drug repurposing; novel computational; computational drug ... See more keywords
Transforming Computational Drug Discovery with Machine Learning and AI.
Sign Up to like & getrecommendations! Published in 2018 at "ACS medicinal chemistry letters"
DOI: 10.1021/acsmedchemlett.8b00437
Abstract: In this Viewpoint, we discuss the current progress in applications of machine learning (ML) and artificial intelligence (AI) to meet the challenges of computational drug discovery. We identify several areas where existing methods have the… read more here.
Keywords: drug discovery; computational drug; machine learning;
A ligand-based computational drug repurposing pipeline using KNIME and Programmatic Data Access: case studies for rare diseases and COVID-19
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Cheminformatics"
DOI: 10.1186/s13321-020-00474-z
Abstract: Biomedical information mining is increasingly recognized as a promising technique to accelerate drug discovery and development. Especially, integrative approaches which mine data from several (open) data sources have become more attractive with the increasing possibilities… read more here.
Keywords: ligand based; drug repurposing; drug; computational drug ... See more keywords
Computational Drug Designing and Prediction Of Important Parameters Using in silico Methods- A Review.
Sign Up to like & getrecommendations! Published in 2019 at "Current computer-aided drug design"
DOI: 10.2174/1573399815666190326120006
Abstract: BACKGROUND Computational or in silico studies are undertaken to assess the drug like properties of lead compounds. These studies help in fast prediction of relevant properties. OBJECTIVE Through this review an effort is made to… read more here.
Keywords: designing prediction; drug designing; drug; computational drug ... See more keywords
Imidazole and biphenyl derivatives as anti-cancer agents for glioma therapeutics: Computational Drug Repurposing Strategy.
Sign Up to like & getrecommendations! Published in 2023 at "Anti-cancer agents in medicinal chemistry"
DOI: 10.2174/1871520623666230125090815
Abstract: BACKGROUND Targeting mutated isocitrate dehydrogenase 1 (mIDH1) is one of the key therapeutic strategies for the treatment of glioma. Few inhibitors, such as ivosidenib and vorasidenib, have been identified as selective inhibitors of mIDH1. However,… read more here.
Keywords: computational drug; anti cancer; drug repurposing; strategy ... See more keywords
Computational Drug Repositioning: Current Progress and Challenges
Sign Up to like & getrecommendations! Published in 2020 at "Applied Sciences"
DOI: 10.3390/app10155076
Abstract: Novel drug discovery is time-consuming, costly, and a high-investment process due to the high attrition rate. Therefore, many trials are conducted to reuse existing drugs to treat pressing conditions and diseases, since their safety profiles… read more here.
Keywords: repositioning current; progress challenges; drug repositioning; current progress ... See more keywords
Computational Drug Design Applied to the Study of Metabotropic Glutamate Receptors
Sign Up to like & getrecommendations! Published in 2019 at "Molecules"
DOI: 10.3390/molecules24061098
Abstract: Metabotropic glutamate (mGlu) receptors are a family of eight GPCRs that are attractive drug discovery targets to modulate glutamate action and response. Here we review the application of computational methods to the study of this… read more here.
Keywords: drug; computational drug; metabotropic glutamate; drug design ... See more keywords
Changing Trends in Computational Drug Repositioning
Sign Up to like & getrecommendations! Published in 2018 at "Pharmaceuticals"
DOI: 10.3390/ph11020057
Abstract: Efforts to maximize the indications potential and revenue from drugs that are already marketed are largely motivated by what Sir James Black, a Nobel Prize-winning pharmacologist advocated—“The most fruitful basis for the discovery of a… read more here.
Keywords: drug repositioning; trends computational; drug; computational drug ... See more keywords
Toward the Identification of Natural Antiviral Drug Candidates against Merkel Cell Polyomavirus: Computational Drug Design Approaches
Sign Up to like & getrecommendations! Published in 2022 at "Pharmaceuticals"
DOI: 10.3390/ph15050501
Abstract: Merkel cell carcinoma (MCC) is a rare form of aggressive skin cancer mainly caused by Merkel cell polyomavirus (MCPyV). Most MCC tumors express MCPyV large T (LT) antigens and play an important role in the… read more here.
Keywords: cell; merkel cell; computational drug; cell polyomavirus ... See more keywords
Self-supervised Learning for Label Sparsity in Computational Drug Repositioning
Sign Up to like & getrecommendations! Published in 2022 at "IEEE/ACM transactions on computational biology and bioinformatics"
DOI: 10.48550/arxiv.2206.00262
Abstract: The computational drug repositioning aims to discover new uses for marketed drugs, which can accelerate the drug development process and play an important role in the existing drug discovery system. However, the number of validated… read more here.
Keywords: drug repositioning; computational drug; supervised learning; task ... See more keywords