Current Opinion in Chemical Biology
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Last. Patrick Aloy (Catalan Institution for Research and Advanced Studies)H-Index: 52
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Abstract null null Through the representation of small molecule structures as numerical descriptors and the exploitation of the similarity principle, chemoinformatics has made paramount contributions to drug discovery, from unveiling mechanisms of action and repurposing approved drugs to de novo crafting of molecules with desired properties and tailored targets. Yet, the inherent complexity of biological systems has fostered the implementation of large-scale experimental screenings seeking a dee...
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#1Reika Tei (Cornell University)H-Index: 3
#2Jeremy M. Baskin (Cornell University)H-Index: 25
Abstract null null Lipids are highly dynamic molecules that, due to their hydrophobicity, are spatially confined to membrane environments. From these locations, certain privileged lipids serve as signaling molecules. For understanding the biological functions of subcellular pools of signaling lipids, induced proximity tools have been invaluable. These methods involve controlled heterodimerization, by either small-molecule or light triggers, of functional proteins. In the arena of lipid signaling...
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#1Kyle J. Biegas (CMU: Central Michigan University)H-Index: 1
#2Benjamin M. Swarts (CMU: Central Michigan University)H-Index: 17
Abstract null null Mycobacteria, which cause tuberculosis and related diseases, possess a diverse set of complex envelope lipids that provide remarkable tolerance to antibiotics and are major virulence factors that drive pathogenesis. Recently, metabolic labeling and bio-orthogonal chemistry have been harnessed to develop chemical probes for tagging specific lipids in live mycobacteria, enabling a range of new basic and translational research avenues. A toolbox of probes has been developed for l...
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#1Lan T (U of C: University of Chicago)H-Index: 1
#2Clémence Delalande (U of C: University of Chicago)H-Index: 4
Last. Bryan C. Dickinson (U of C: University of Chicago)H-Index: 31
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Abstract null null Protein S-acylation is a prevalent post-translational protein lipidation that is dynamically regulated by ‘writer’ protein S-acyltransferases and ‘eraser’ acylprotein thioesterases. The protein S-acyltransferases comprise 23 aspartate–histidine–histidine–cysteine (DHHC)–containing proteins, which transfer fatty acid acyl groups from acyl-coenzyme A onto protein substrates. DHHC proteins are increasingly recognized as critical regulators of S-acylation–mediated cellular process...
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#1Ghita Ghislat (French Institute of Health and Medical Research)H-Index: 3
#2Taufiq Rahman (University of Cambridge)H-Index: 23
Last. Pedro J. Ballester (AMU: Aix-Marseille University)H-Index: 26
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As more bioactivity and protein structure data become available, scoring functions (SFs) using machine learning (ML) to leverage these data sets continue to gain further accuracy and broader applicability. Advances in our understanding of the optimal ways to train and evaluate these ML-based SFs have introduced further improvements. One of these advances is how to select the most suitable decoys (molecules assumed inactive) to train or test an ML-based SF on a given target. We also review the la...
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#1Connor W. Coley (MIT: Massachusetts Institute of Technology)H-Index: 23
#2Xiao Wang (MIT: Massachusetts Institute of Technology)
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Abstract null null The realization of the ability of metabolites to form self-assembled amyloid-like nanostructures was a surprising phenomenon. This discovery paved the way towards understanding the pathophysiology of the inborn error of metabolism disorders from a new perspective, relating them to amyloid-associated diseases that are characterized by the aggregation of proteins and polypeptides. Hence, a ‘generic amyloid hypothesis’ can be proposed. This theory implies that the formation of am...
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#1Shaojun Yang (PKU: Peking University)
#2William Shu Ching Ngai (PKU: Peking University)H-Index: 3
Last. Peng Chen (PKU: Peking University)H-Index: 65
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Abstract Bacteria have evolved a variety of effector proteins to facilitate their survival and proliferation within the host environment. Continuous competition at the host–pathogen interface has empowered these effectors with unique mechanism and high specificity toward their host targets. The rich repertoire of bacterial effectors has thus provided us an attractive toolkit for investigating various cellular processes, such as signal transductions. With recent advances in protein chemistry and ...
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#1Sicheng Tang (PSU: Pennsylvania State University)H-Index: 11
#2Wenting Wang (PSU: Pennsylvania State University)
Last. Xin Zhang (PSU: Pennsylvania State University)H-Index: 62
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Over the past few years, research tools have been developed to monitor the multistep protein aggregation process in live cells, a process that has been associated with a growing number of human diseases. Herein, we describe recent advances in methods that can either survey the distribution of aggregation at the level of the cellular proteome using mass spectroscopy or discern the multistep aggregation process of specific proteins of interest via fluorescence signals. Future development and appli...
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#1Neetika Jaisinghani (SBU: Stony Brook University)
#2Jessica C. Seeliger (SBU: Stony Brook University)H-Index: 9
Abstract null null Exploring the lipids of bacteria presents a predicament that may not be broadly recognized in a field dominated by the biology and biochemistry of eukaryotic — and especially, mammalian — lipids. Bacteria make multifarious metabolites that contain fatty acyl chains of unusual length and unsaturation attached to assorted headgroups, including sugars and fatty alcohols. Lipid profiling approaches developed for eukaryotic lipids often fail to detect, resolve, or identify bacteria...
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