Virtual Combinatorial Chemistry and Pharmacological Screening: A Short Guide to Drug Design. [PDF]
Int J Mol Sci, 2022 Traditionally, drug development involved the individual synthesis and biological evaluation of hundreds to thousands of compounds with the intention of highlighting their biological activity, selectivity, and bioavailability, as well as their low ...
Suay-García B +4 more
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Biomimetic selenocystine based dynamic combinatorial chemistry for thiol-disulfide exchange. [PDF]
Nat Commun, 2021 Dynamic combinatorial chemistry applied to biological environments requires the exchange chemistry of choice to take place under physiological conditions.
Canal-Martín A, Pérez-Fernández R.
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Protein-Templated Dynamic Combinatorial Chemistry: Brief Overview and Experimental Protocol. [PDF]
European J Org Chem, 2019 Dynamic combinatorial chemistry (DCC) is a powerful tool to identify bioactive compounds. This efficient technique allows the target to select its own binders and circumvents the need for synthesis and biochemical evaluation of all individual derivatives.
Hartman AM, Gierse RM, Hirsch AKH.
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Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry. [PDF]
Angew Chem Int Ed Engl, 2016 Fragment‐based drug design (FBDD) affords active compounds for biological targets. While there are numerous reports on FBDD by fragment growing/optimization, fragment linking has rarely been reported.
Mondal M +5 more
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Protein-Directed Dynamic Combinatorial Chemistry: A Guide to Protein Ligand and Inhibitor Discovery. [PDF]
Molecules, 2016 Protein-directed dynamic combinatorial chemistry is an emerging technique for efficient discovery of novel chemical structures for binding to a target protein.
Huang R, Leung IK.
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Transfer RNA modifications: nature's combinatorial chemistry playground. [PDF]
Wiley Interdiscip Rev RNA, 2013 Following synthesis, tRNAs are peppered by numerous chemical modifications which may differentially affect a tRNA's structure and function. Although modifications affecting the business ends of a tRNA are predictably important for cell viability, a ...
Jackman JE, Alfonzo JD.
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Ternary resin-bound Dynamic Combinatorial Chemistry. [PDF]
Chem Commun (Camb), 2012 The ability to carry out simultaneous orthogonal exchange chemistries has opened new opportunities for increasing the numerical and structural diversity accessible to Dynamic Combinatorial Chemistry.
Gromova AV, Ciszewski JM, Miller BL.
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Combinatorial chemistry in drug discovery. [PDF]
Curr Opin Chem Biol, 2017 Liu R, Li X, Lam KS.
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Live-Cell-Templated Dynamic Combinatorial Chemistry.
Angewandte Chemie, 2020 Dynamic covalent chemistry combines in a single step the screening and synthesis of ligands for biomolecular recognition. To that, a chemical entity is used as template within a dynamic combinatorial library of interconverting species, so that the ...
D. Carbajo +3 more
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Fermionic Quantum Approximate Optimization Algorithm [PDF]
Physical Review Research 5, 023071 (2023), 2023 Quantum computers are expected to accelerate solving combinatorial optimization problems, including algorithms such as Grover adaptive search and quantum approximate optimization algorithm (QAOA). However, many combinatorial optimization problems involve constraints which, when imposed as soft constraints in the cost function, can negatively impact the
arxiv +1 more source