Network pharmacology approach for medicinal plants: review and assessment
Natural products have played a critical role in medicine due to their ability to bind and
modulate cellular targets involved in disease. Medicinal plants hold a variety of bioactive …
modulate cellular targets involved in disease. Medicinal plants hold a variety of bioactive …
The significance of artificial intelligence in drug delivery system design
Over the last decade, increasing interest has been attracted towards the application of
artificial intelligence (AI) technology for analyzing and interpreting the biological or genetic …
artificial intelligence (AI) technology for analyzing and interpreting the biological or genetic …
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules
A Daina, O Michielin, V Zoete - Nucleic acids research, 2019 - academic.oup.com
SwissTargetPrediction is a web tool, on-line since 2014, that aims to predict the most
probable protein targets of small molecules. Predictions are based on the similarity principle …
probable protein targets of small molecules. Predictions are based on the similarity principle …
[HTML][HTML] 5-HT2C receptor structures reveal the structural basis of GPCR polypharmacology
Drugs frequently require interactions with multiple targets—via a process known as
polypharmacology—to achieve their therapeutic actions. Currently, drugs targeting several …
polypharmacology—to achieve their therapeutic actions. Currently, drugs targeting several …
Cheminformatics in natural product‐based drug discovery
Y Chen, J Kirchmair - Molecular Informatics, 2020 - Wiley Online Library
This review seeks to provide a timely survey of the scope and limitations of cheminformatics
methods in natural product‐based drug discovery. Following an overview of data resources …
methods in natural product‐based drug discovery. Following an overview of data resources …
eToxPred: a machine learning-based approach to estimate the toxicity of drug candidates
Background The efficiency of drug development defined as a number of successfully
launched new pharmaceuticals normalized by financial investments has significantly …
launched new pharmaceuticals normalized by financial investments has significantly …
Repurposing old drugs to fight multidrug resistant cancers
Overcoming multidrug resistance represents a major challenge for cancer treatment. In the
search for new chemotherapeutics to treat malignant diseases, drug repurposing gained a …
search for new chemotherapeutics to treat malignant diseases, drug repurposing gained a …
DrugEx v2: de novo design of drug molecules by Pareto-based multi-objective reinforcement learning in polypharmacology
In polypharmacology drugs are required to bind to multiple specific targets, for example to
enhance efficacy or to reduce resistance formation. Although deep learning has achieved a …
enhance efficacy or to reduce resistance formation. Although deep learning has achieved a …
Comprehensive assessment of nine target prediction web services: which should we choose for target fishing?
Identification of potential targets for known bioactive compounds and novel synthetic
analogs is of considerable significance. In silico target fishing (TF) has become an …
analogs is of considerable significance. In silico target fishing (TF) has become an …
An up-to-date overview of computational polypharmacology in modern drug discovery
Introduction In recent years, computational polypharmacology has gained significant
attention to study the promiscuous nature of drugs. Despite tremendous challenges …
attention to study the promiscuous nature of drugs. Despite tremendous challenges …