Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System-Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking.

Aromatase / chemistry Aromatase Inhibitors / chemical synthesis Catalytic Domain Crystallization Halogens / chemistry Molecular Docking Simulation Phenols / chemistry Protein Binding Triazoles / chemical synthesis
Hirshfeld surface crystal structures drug design hormone analogs molecular docking triazoles

Journal

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

Informations de publication

Date de publication:
02 Jul 2021
Historique:
received: 11 06 2021
revised: 30 06 2021
accepted: 01 07 2021
entrez: 19 7 2021
pubmed: 20 7 2021
medline: 11 9 2021
Statut: epublish

Résumé

Herein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1

Identifiants

DOI: 10.3390/molecules26134059 PMID: 34279404 PMC: PMC8271369
pubmed: 34279404
pii: molecules26134059
doi: 10.3390/molecules26134059
pmc: PMC8271369
pii:
doi:

Substances chimiques

Aromatase Inhibitors 0
Halogens 0
Phenols 0
Triazoles 0
Aromatase EC 1.14.14.1

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Subventions

Organisme : Narodowe Centrum Badań i Rozwoju
ID : TANGO-IV-A/0004/2019-00

Références

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pubmed: 24981612
Drug Discov Today. 2017 Oct;22(10):1572-1581
pubmed: 28676407
Eur J Med Chem. 2016 May 23;114:170-90
pubmed: 26974384
J Comput Chem. 2010 Jan 30;31(2):455-61
pubmed: 19499576
Acta Crystallogr C Struct Chem. 2015 Jan;71(Pt 1):3-8
pubmed: 25567568
J Asian Nat Prod Res. 2020 Nov;22(11):1037-1044
pubmed: 31773975
Eur J Med Chem. 2019 Sep 1;177:116-143
pubmed: 31129450
J Enzyme Inhib Med Chem. 2021 Dec;36(1):238-247
pubmed: 33322953
Endocr Rev. 2015 Oct;36(5):526-63
pubmed: 26213785

Auteurs

Mateusz Daśko (M)

Department of Inorganic Chemistry, Faculty of Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, Poland.
ORCID: 0000-0002-3367-6491

Anna Dołęga (A)

Department of Inorganic Chemistry, Faculty of Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, Poland.
ORCID: 0000-0003-0509-2285

Magdalena Siedzielnik (M)

Department of Inorganic Chemistry, Faculty of Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, Poland.

Karol Biernacki (K)

Department of Organic Chemistry, Faculty of Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, Poland.
ORCID: 0000-0003-3036-8693

Olga Ciupak (O)

Department of Organic Chemistry, Faculty of Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, Poland.

Janusz Rachon (J)

Department of Organic Chemistry, Faculty of Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, Poland.

Sebastian Demkowicz (S)

Department of Organic Chemistry, Faculty of Chemistry, Gdańsk University of Technology, Narutowicza 11/12, 80-233 Gdańsk, Poland.
ORCID: 0000-0002-4252-4297

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Classifications MeSH

questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Hémoprotéines › Cytochromes › Cytochrome P-450 enzyme system › Steroid hydroxylases › Aromatase › Novel 1,2,3-Triazole Derivatives as Mimics of...
questionsmedicales.fr › Actions chimiques et utilisations › Actions pharmacologiques › Effets physiologiques des médicaments › Hormones, substituts d'hormones et antagonistes d'hormones › Antihormones › Inhibiteurs de la synthèse des stéroïdes › Inhibiteurs de l'aromatase › Novel 1,2,3-Triazole Derivatives as Mimics of...
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Conformation moléculaire › Conformation des protéines › Éléments structuraux des protéines › Domaine catalytique › Novel 1,2,3-Triazole Derivatives as Mimics of...
questionsmedicales.fr › Phénomènes chimiques › Cristallisation › Novel 1,2,3-Triazole Derivatives as Mimics of...
questionsmedicales.fr › Produits chimiques inorganiques › Éléments › Halogènes › Novel 1,2,3-Triazole Derivatives as Mimics of...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de docking moléculaire › Novel 1,2,3-Triazole Derivatives as Mimics of...
questionsmedicales.fr › Composés chimiques organiques › Hydrocarbures › Hydrocarbures cycliques › Hydrocarbures aromatiques › Dérivés du benzène › Phénols › Novel 1,2,3-Triazole Derivatives as Mimics of...
questionsmedicales.fr › Métabolisme › Liaison aux protéines › Novel 1,2,3-Triazole Derivatives as Mimics of...
questionsmedicales.fr › Composés hétérocycliques › Composés hétéromonocycliques › Azoles › Triazoles › Novel 1,2,3-Triazole Derivatives as Mimics of...