A Supramolecular Approach to Structure-Based Design with A Focus on Synthons Hierarchy in Ornithine-Derived Ligands: Review, Synthesis, Experimental and in Silico Studies.

Databases, Factual Hydrogen Bonding Molecular Conformation Molecular Structure Ornithine / chemistry
C-H…π C=O (lone pair)…π and N-O…π interactions DFT H-bond energies ProTox II. SwissADME drug-likeness electrostatic molecular potential molecular (Hirshfeld) surface ornithine supramolecular synthon π…π

Journal

Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009

Informations de publication

Date de publication:
03 Mar 2020
Historique:
received: 31 01 2020
revised: 20 02 2020
accepted: 02 03 2020
entrez: 7 3 2020
pubmed: 7 3 2020
medline: 15 12 2020
Statut: epublish

Résumé

The success of innovative drugs depends on an interdisciplinary and holistic approach to their design and development. The supramolecular architecture of living systems is controlled by non-covalent interactions to a very large extent. The latter are prone to extensive cooperation and like a virtuoso play a symphony of life

Identifiants

DOI: 10.3390/molecules25051135 PMID: 32138329 PMC: PMC7179192
pubmed: 32138329
pii: molecules25051135
doi: 10.3390/molecules25051135
pmc: PMC7179192
pii:
doi:

Substances chimiques

Ornithine E524N2IXA3

Types de publication

Journal Article Review

Langues

eng

Sous-ensembles de citation

IM

Déclaration de conflit d'intérêts

The authors declare no conflict of interest.

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Auteurs

Joanna Bojarska (J)

Institute of General and Ecological Chemistry, Faculty of Chemistry, Lodz University of Technology, Żeromskiego 116, 90-924 Lodz, Poland.

Milan Remko (M)

Remedika, Sustekova, 1 85104 Bratislava, Slovakia.

Martin Breza (M)

Department of Physical Chemistry, Slovak Technical University, Radlinskeho 9, SK-81237 Bratislava, Slovakia.

Izabela D Madura (ID)

Warsaw University of Technology, Faculty of Chemistry, Noakowskiego, 3 00-664 Warszawa, Poland.

Krzysztof Kaczmarek (K)

Institute of Organic Chemistry, Lodz University of Technology, Faculty of Chemistry, Żeromskiego 116, 90-924 Lodz, Poland.

Janusz Zabrocki (J)

Institute of Organic Chemistry, Lodz University of Technology, Faculty of Chemistry, Żeromskiego 116, 90-924 Lodz, Poland.

Wojciech M Wolf (WM)

Institute of General and Ecological Chemistry, Faculty of Chemistry, Lodz University of Technology, Żeromskiego 116, 90-924 Lodz, Poland.

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Classifications MeSH

questionsmedicales.fr › Sciences de l'information › Mémorisation et recherche des informations › Bases de données comme sujet › Bases de données factuelles › A Supramolecular Approach to Structure-Based...
questionsmedicales.fr › Phénomènes chimiques › Liaison hydrogène › A Supramolecular Approach to Structure-Based...
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Conformation moléculaire › A Supramolecular Approach to Structure-Based...
questionsmedicales.fr › Phénomènes chimiques › Structure moléculaire › A Supramolecular Approach to Structure-Based...
questionsmedicales.fr › Acides aminés, peptides et protéines › Acides aminés › Acides aminés diaminés › Ornithine › A Supramolecular Approach to Structure-Based...