Oncological Ligand-Target Binding Systems and Developmental Approaches for Cancer Theranostics
Sign Up to like & getrecommendations! Published in 2021 at "Molecular Biotechnology"
DOI: 10.1007/s12033-020-00296-2
Abstract: Targeted treatment of cancer hinges on the identification of specific intracellular molecular receptors on cancer cells to stimulate apoptosis for eventually inhibiting growth; the development of novel ligands to target biomarkers expressed by the cancer… read more here.
Keywords: ligand target; oncological ligand; target; cancer ... See more keywords
Target-binding behavior of IDPs via pre-structured motifs.
Sign Up to like & getrecommendations! Published in 2021 at "Progress in molecular biology and translational science"
DOI: 10.1016/bs.pmbts.2021.07.031
Abstract: Pre-Structured Motifs (PreSMos) are transient secondary structures observed in many intrinsically disordered proteins (IDPs) and serve as protein target-binding hot spots. The prefix "pre" highlights that PreSMos exist a priori in the target-unbound state of… read more here.
Keywords: pre structured; target; idps; target binding ... See more keywords
Mathematical Approaches in Estimating Aptamer Target Binding Affinity.
Sign Up to like & getrecommendations! Published in 2020 at "Analytical biochemistry"
DOI: 10.1016/j.ab.2020.113742
Abstract: The performance of aptamers as versatile biomolecular tools in numerous analytical applications is critically dependent on their high target binding specificity and selectivity. However, only the technical or methodological aspects of measuring aptamer-target binding affinities… read more here.
Keywords: aptamer target; target; binding affinity; mathematical models ... See more keywords
Dissecting the impact of target-binding kinetics of protein binders on tumor localization
Sign Up to like & getrecommendations! Published in 2021 at "iScience"
DOI: 10.1016/j.isci.2021.102104
Abstract: Summary Systematic control of in vivo behavior of protein-based therapeutics is considered highly desirable for improving their clinical outcomes. Modulation of biochemical properties including molecular weight, surface charge, and binding affinity has thus been suggested… read more here.
Keywords: protein binders; affinity; binding kinetics; tumor localization ... See more keywords
Predicting drug-target binding affinity through molecule representation block based on multi-head attention and skip connection
Sign Up to like & getrecommendations! Published in 2022 at "Briefings in bioinformatics"
DOI: 10.1093/bib/bbac468
Abstract: Exiting computational models for drug-target binding affinity prediction have much room for improvement in prediction accuracy, robustness and generalization ability. Most deep learning models lack interpretability analysis and few studies provide application examples. Based on… read more here.
Keywords: mrbdta; drug target; target binding; drug ... See more keywords
SAM-DTA: a sequence-agnostic model for drug-target binding affinity prediction
Sign Up to like & getrecommendations! Published in 2022 at "Briefings in bioinformatics"
DOI: 10.1093/bib/bbac533
Abstract: Drug-target binding affinity prediction is a fundamental task for drug discovery and has been studied for decades. Most methods follow the canonical paradigm that processes the inputs of the protein (target) and the ligand (drug)… read more here.
Keywords: binding affinity; drug target; sequence; target binding ... See more keywords
MFR-DTA: a multi-functional and robust model for predicting drug–target binding affinity and region
Sign Up to like & getrecommendations! Published in 2023 at "Bioinformatics"
DOI: 10.1093/bioinformatics/btad056
Abstract: Abstract Motivation Recently, deep learning has become the mainstream methodology for drug–target binding affinity prediction. However, two deficiencies of the existing methods restrict their practical applications. On the one hand, most existing methods ignore the… read more here.
Keywords: binding affinity; drug target; target binding; drug ... See more keywords
Lessons learned about [F-18]-AV-1451 off-target binding from an autopsy-confirmed Parkinson’s case
Sign Up to like & getrecommendations! Published in 2017 at "Acta Neuropathologica Communications"
DOI: 10.1186/s40478-017-0482-0
Abstract: Abstract[F-18]-AV-1451 is a novel positron emission tomography (PET) tracer with high affinity to neurofibrillary tau pathology in Alzheimer’s disease (AD). PET studies have shown increased tracer retention in patients clinically diagnosed with dementia of AD… read more here.
Keywords: choroid plexus; case; pathology; basal ganglia ... See more keywords
PreSMo Target-Binding Signatures in Intrinsically Disordered Proteins
Sign Up to like & getrecommendations! Published in 2018 at "Molecules and Cells"
DOI: 10.14348/molcells.2018.0192
Abstract: Intrinsically disordered proteins (IDPs) are highly unorthodox proteins that do not form three-dimensional structures under physiological conditions. The discovery of IDPs has destroyed the classical structure-function paradigm in protein science, 3-D structure = function, because… read more here.
Keywords: presmo target; binding signatures; target; target binding ... See more keywords
Coarse-Grained Modeling and Molecular Dynamics Simulations of Ca2+-Calmodulin
Sign Up to like & getrecommendations! Published in 2021 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2021.661322
Abstract: Calmodulin (CaM) is a calcium-binding protein that transduces signals to downstream proteins through target binding upon calcium binding in a time-dependent manner. Understanding the target binding process that tunes CaM’s affinity for the calcium ions… read more here.
Keywords: cam; calcium binding; coarse grained; ca2 ... See more keywords
DeepMHADTA: Prediction of Drug-Target Binding Affinity Using Multi-Head Self-Attention and Convolutional Neural Network
Sign Up to like & getrecommendations! Published in 2022 at "Current Issues in Molecular Biology"
DOI: 10.3390/cimb44050155
Abstract: Drug-target interactions provide insight into the drug-side effects and drug repositioning. However, wet-lab biochemical experiments are time-consuming and labor-intensive, and are insufficient to meet the pressing demand for drug research and development. With the rapid… read more here.
Keywords: target binding; drug target; drug; binding affinity ... See more keywords