scholarly journals Peptide-based capsules with chirality-controlled functionalized interiors – rational design and amplification from dynamic combinatorial libraries

2019 ◽  
Vol 10 (16) ◽  
pp. 4412-4421 ◽  
Author(s):  
Hanna Jędrzejewska ◽  
Agnieszka Szumna
Keyword(s):  
Rational Design ◽  
Combinatorial Libraries ◽  
Self Assembled

Self-assembled capsules were designed by two approaches and synthesized using azapeptides of various chiralities attached to resorcin[4]arene by semicarbazone linkers.

Rational Design of Macrolides by Virtual Screening of Combinatorial Libraries Generated through in Silico Manipulation of Polyketide Synthases

2006 ◽  
Vol 49 (6) ◽  
pp. 2077-2087 ◽  
Author(s):  
Sergey B. Zotchev ◽  
Alla V. Stepanchikova ◽  
Anastasia P. Sergeyko ◽  
Boris N. Sobolev ◽  
Dmitrii A. Filimonov ◽  
...  
Keyword(s):  
Virtual Screening ◽  
In Silico ◽  
Rational Design ◽  
Combinatorial Libraries ◽  
Polyketide Synthases

Rational Design of a Tetrameric Protein to Enhance Interactions between Self-Assembled Fibers Gives Molecular Hydrogels

2012 ◽  
Vol 51 (18) ◽  
pp. 4388-4392 ◽  
Author(s):  
Xiaoli Zhang ◽  
Xinlei Chu ◽  
Ling Wang ◽  
Huaimin Wang ◽  
Gaolin Liang ◽  
...  
Keyword(s):  
Rational Design ◽  
Self Assembled

scholarly journals The Effects of Combinatorial Chemistry and Technologies on Drug Discovery and Biotechnology – a Mini Review

2014 ◽  
Vol 13 (2) ◽  
pp. 87-108 ◽  
Author(s):  
Pierfausto Seneci ◽  
Giorgio Fassina ◽  
Vladimir Frecer ◽  
Stanislav Miertus
Keyword(s):  
Drug Discovery ◽  
Drug Design ◽  
Expert Opinion ◽  
High Throughput ◽  
Combinatorial Chemistry ◽  
Rational Design ◽  
Combinatorial Libraries ◽  
Computer Assisted ◽  
Future Trends ◽  
The Impact

Abstract The review will focus on the aspects of combinatorial chemistry and technologies that are more relevant in the modern pharmaceutical process. An historical, critical introduction is followed by three chapters, dealing with the use of combinatorial chemistry/high throughput synthesis in medicinal chemistry; the rational design of combinatorial libraries using computer-assisted combinatorial drug design; and the use of combinatorial technologies in biotechnology. The impact of “combinatorial thinking” in drug discovery in general, and in the examples reported in details, is critically discussed. Finally, an expert opinion on current and future trends in combinatorial chemistry and combinatorial technologies is provided.

scholarly journals Reorganization of Self-Assembled DNA-Based Polymers Using Orthogonally Addressable Building Blocks

2021 ◽  
Author(s):  
Serena Gentile ◽  
Erica Del Grosso ◽  
Leonard J. Prins ◽  
Francesco Ricci
Keyword(s):  
Self Assembly ◽  
Rational Design ◽  
Building Blocks ◽  
Binding Domain ◽  
Non Covalent Interactions ◽  
Sticky Ends ◽  
Self Assembled ◽  
Block Structures ◽  
Covalent Interactions

Taking advantage of the addressability and programmability of DNA/DNA non-covalent interactions we report here the rational design of orthogonal DNA-based addressable tiles that self-assemble into polymer-like structures that can be reconfigured and reorganized by external inputs. The different tiles share the same 5-nucleotide sticky ends responsible for self-assembly but are rationally designed to contain a specific regulator-binding domain that can be orthogonally targeted by different DNA regulator strands (activators and inhibitors). We show that by sequentially adding specific activators and inhibitors it is possible to re-organize in a dynamic and reversible way the formed polymer-like structures to display well-defined distributions: homopolymers made of a single tile, random polymers in which different tiles are distributed randomly and block structures in which the tiles are organized in segments.

Simulations of molecular self-assembled monolayers on surfaces: packing structures, formation processes and functions tuned by intermolecular and interfacial interactions

2016 ◽  
Vol 18 (33) ◽  
pp. 22757-22771 ◽  
Author(s):  
Jin Wen ◽  
Wei Li ◽  
Shuang Chen ◽  
Jing Ma
Keyword(s):  
Rational Design ◽  
Self Assembled Monolayers ◽  
Formation Processes ◽  
Interfacial Interactions ◽  
Assembled Monolayers ◽  
Self Assembled

Simulations using QM and MM methods guide the rational design of functionalized SAMs on surfaces.

Rational Design of Self-Assembled Cationic Porphyrin-Based Nanoparticles for Efficient Photodynamic Inactivation of Bacteria

2020 ◽  
Vol 12 (49) ◽  
pp. 54378-54386
Author(s):  
Junying Li ◽  
Wei Sun ◽  
Zihuayuan Yang ◽  
Ge Gao ◽  
Huan-Huan Ran ◽  
...  
Keyword(s):  
Rational Design ◽  
Photodynamic Inactivation ◽  
Cationic Porphyrin ◽  
Self Assembled ◽  
Inactivation Of Bacteria

scholarly journals From molecular to macroscopic via the rational design of a self-assembled 3D DNA crystal

Nature ◽  
2009 ◽  
Vol 461 (7260) ◽  
pp. 74-77 ◽  
Author(s):  
Jianping Zheng ◽  
Jens J. Birktoft ◽  
Yi Chen ◽  
Tong Wang ◽  
Ruojie Sha ◽  
...  
Keyword(s):  
Rational Design ◽  
Self Assembled
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