Dynamic Combinatorial Chemistry to Identify Binders of ThiT, an S‐Component of the Energy‐Coupling Factor Transporter for Thiamine
Sign Up to like & getrecommendations! Published in 2017 at "Chemmedchem"
DOI: 10.1002/cmdc.201700440
Abstract: We applied dynamic combinatorial chemistry (DCC) to identify ligands of ThiT, the S‐component of the energy‐coupling factor (ECF) transporter for thiamine in Lactococcus lactis. We used a pre‐equilibrated dynamic combinatorial library (DCL) and saturation‐transfer difference… read more here.
Keywords: dynamic combinatorial; combinatorial chemistry; chemistry; thit component ... See more keywords
Development of Urease Inhibitors by Fragment‐Based Dynamic Combinatorial Chemistry
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DOI: 10.1002/cmdc.202200307
Abstract: In this study, fragment‐based dynamic combinatorial chemistry (DCC) was explored for the development of novel urease inhibitors. Based on a rationally designed fragment, two iteratively evolved dynamic combinatorial libraries (DCLs) were generated and screened in… read more here.
Keywords: fragment based; dynamic combinatorial; combinatorial chemistry; chemistry ... See more keywords
Toward in Silico Modeling of Dynamic Combinatorial Libraries
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DOI: 10.1021/acscentsci.2c00048
Abstract: Dynamic combinatorial libraries (DCLs) display adaptive behavior, enabled by the reversible generation of their molecular constituents from building blocks, in response to external effectors, e.g., protein receptors. So far, chemoinformatics has not yet been used… read more here.
Keywords: dynamic combinatorial; modeling dynamic; combinatorial libraries; toward silico ... See more keywords
Fragment-Based Dynamic Combinatorial Chemistry for Identification of Selective α-Glucosidase Inhibitors.
Sign Up to like & getrecommendations! Published in 2022 at "ACS medicinal chemistry letters"
DOI: 10.1021/acsmedchemlett.2c00405
Abstract: Efforts to combine advantages of fragment-based drug design (FBDD) and dynamic combinatorial chemistry (DCC) for the development of selective α-glucosidase inhibitors were described. Starting from 5 rationally designed fragments, two iterative dynamic combinatorial libraries (DCLs)… read more here.
Keywords: fragment based; selective glucosidase; dynamic combinatorial; combinatorial chemistry ... See more keywords
From Dynamic Combinatorial Chemistry to in Vivo Evaluation of Reversible and Irreversible Myeloperoxidase Inhibitors.
Sign Up to like & getrecommendations! Published in 2017 at "ACS medicinal chemistry letters"
DOI: 10.1021/acsmedchemlett.6b00417
Abstract: The implementation of dynamic combinatorial libraries allowed the determination of highly active reversible and irreversible inhibitors of myeloperoxidase (MPO) at the nanomolar level. Docking experiments highlighted the interaction between the most active ligands and MPO,… read more here.
Keywords: dynamic combinatorial; combinatorial chemistry; chemistry; vivo evaluation ... See more keywords
Discovery of a Biologically Active Bromodomain Inhibitor by Target-Directed Dynamic Combinatorial Chemistry.
Sign Up to like & getrecommendations! Published in 2018 at "ACS medicinal chemistry letters"
DOI: 10.1021/acsmedchemlett.8b00247
Abstract: Target-directed dynamic combinatorial chemistry (DCC) has emerged as a strategy for the identification of inhibitors of relevant therapeutic targets. In this contribution, we use this strategy for the identification of a high-affinity binder of a… read more here.
Keywords: dynamic combinatorial; target directed; combinatorial chemistry; chemistry ... See more keywords
Emergence of a New Self-Replicator from a Dynamic Combinatorial Library Requires a Specific Pre-Existing Replicator
Sign Up to like & getrecommendations! Published in 2017 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.7b07346
Abstract: Our knowledge regarding the early steps in the formation of evolvable life and what constitutes the minimal molecular basis of life remains far from complete. The recent emergence of systems chemistry reinvigorated the investigation of… read more here.
Keywords: self replicator; dynamic combinatorial; replicator dynamic; combinatorial library ... See more keywords
Unnatural cyclodextrins can be accessed from enzyme-mediated dynamic combinatorial libraries.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical communications"
DOI: 10.1039/d1cc06452e
Abstract: Dynamic systems of cyclodextrins (CDs) enabled by a native cyclodextrin glucanotransferase (CGTase) can incorporate unnatural glucopyranose-derived building blocks, expanding the applicability of enzyme-mediated dynamic combinatorial chemistry by using synthetically modified substrates. Starting dynamic combinatorial libraries… read more here.
Keywords: unnatural cyclodextrins; dynamic combinatorial; combinatorial libraries; mediated dynamic ... See more keywords
Dynamic combinatorial libraries of a dimercapto-pillar[5]arene.
Sign Up to like & getrecommendations! Published in 2022 at "Chemical communications"
DOI: 10.1039/d2cc02752f
Abstract: We report the synthesis and dynamic covalent chemistry (DCvC) of an A1/A2-dimercapto-functionalized pillar[5]arene (Di-SH-P5). The introduction of thiol moieties into this macrocyclic host makes it an effective building block for making a dynamic combinatorial library… read more here.
Keywords: dynamic combinatorial; combinatorial libraries; pillar arene; libraries dimercapto ... See more keywords
On dynamic combinatorial clustering
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Communications Technology and Electronics"
DOI: 10.1134/s1064226917060122
Abstract: The paper addresses dynamic combinatorial clustering. First, a systematic literature survey on dynamic/online clustering is presented (problems, methods, applications). Second, restructuring approach to clustering is described (one-stage clustering, multi-stage clustering, sorting). Third, two network application… read more here.
Keywords: dynamic combinatorial; stage; combinatorial clustering;