VNARs: An Ancient and Unique Repertoire of Molecules That Deliver Small, Soluble, Stable and High Affinity Binders of Proteins [PDF]
, 2015 Peer reviewedPublisher ...
Clem +4 more
core +3 more sources
Selection Of A Novel Aptamer Against Vitronectin Using Capillary Electrophoresis And Next Generation Sequencing [PDF]
, 2016 Breast cancer (BC) results in ≃40,000 deaths each year in the United States and even among survivors treatment of the disease may have devastating consequences, including increased risk for heart disease and cognitive impairment resulting from the toxic ...
Boyacioglu, O. +8 more
core +3 more sources
Discovery of high affinity inhibitors of Leishmania donovani N-myristoyltransferase [PDF]
, 2015 N-Myristoyltransferase (NMT) is a potential drug target in Leishmania parasites. Scaffold-hopping from published inhibitors yielded the serendipitous discovery of a chemotype selective for Leishmania donovani NMT; development led to high affinity ...
Barker, KV +9 more
core +1 more source
BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology. [PDF]
, 2015 BindingDB, www.bindingdb.org, is a publicly accessible database of experimental protein-small molecule interaction data. Its collection of over a million data entries derives primarily from scientific articles and, increasingly, US patents.
Baitaluk, Michael +5 more
core +1 more source
The benefits of in silico modeling to identify possible small-molecule drugs and their off-target interactions [PDF]
, 2018 Accepted for publication in a future issue of Future Medicinal Chemistry.The research into the use of small molecules as drugs continues to be a key driver in the development of molecular databases, computer-aided drug design software and collaborative ...
Blomberg N +6 more
core +2 more sources
Sequence-based drug-target affinity prediction using weighted graph neural networks
BMC Genomics, 2022 Background Affinity prediction between molecule and protein is an important step of virtual screening, which is usually called drug-target affinity (DTA) prediction. Its accuracy directly influences the progress of drug development.
Mingjian Jiang +5 more
doaj +1 more source
Binding, thermodynamics, and selectivity of a non-peptide antagonist to the melanocortin-4 receptor [PDF]
, 2018 The melanocortin-4 receptor (MC4R) is a potential drug target for treatment of obesity, anxiety, depression, and sexual dysfunction. Crystal structures for MC4R are not yet available, which has hindered successful structure-based drug design.
Clark, Timothy +5 more
core +2 more sources
QSAR studies on Withanolide analogs for anticancer activity [PDF]
, 2011 Withanolides are a group of pharmacologically active compounds present in most prodigal amounts in roots and leaves of Withania somnifera (Indian ginseng), one of the most important medicinal plants of Indian systems of medicine.
Dharmendra Kumar Yadav +2 more
core +2 more sources
Small molecule and peptide inhibitors of the pro-survival protein Mcl-1 [PDF]
, 2016 The ability of protein–protein interactions to regulate cellular processes in both beneficial and detrimental ways has made them obvious drug targets.
Beekman, Andrew, Howell, Lesley
core +1 more source
Dipeptide Frequency of Word Frequency and Graph Convolutional Networks for DTA Prediction
Frontiers in Bioengineering and Biotechnology, 2020 Deep learning is an effective method to capture drug-target binding affinity, but low accuracy is still an obstacle to be overcome. Thus, we propose a novel predictor for drug-target binding affinity based on dipeptide frequency of word frequency ...
Xianfang Wang +6 more
doaj +1 more source