Synthesis, in vitro and in silico anticancer evaluation of novel pyridin-2-yl estra-1,3,5(10)-triene derivatives
Aim: The aim of this study was the synthesis of steroid compounds with heterocyclic rings and good anticancer properties. Materials & methods: The synthesis, in silico and in vitro anticancer testing of novel pyridin-2-yl estra-1,3,5(10)-triene derivatives was performed. Results: All synthesized compounds have shown promising results for, antiproliferative activity, relative binding affinities for the ligand binding domains of estrogen receptors α, β and androgen receptor, aromatase binding potential, and inhibition of AKR1C3 enzyme. Conclusion: 3-Benzyloxy (17E)-pycolinilidene derivative 9 showed the best antitumor potential against MDA-MB-231 cell line, an activity that can be explained by its moderate inhibition of AKR1C3. Molecular docking simulation indicates that it binds to AKR1C3 in a very similar orientation and geometry as steroidal inhibitor EM1404.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2024 |
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| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - year:2024 |
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| Enthalten in: |
Future medicinal chemistry - (2024) vom: 17. Apr. |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Stevanović, Milica Z [VerfasserIn] |
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| Links: |
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| Themen: |
2-picolyl steroids |
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| Anmerkungen: |
Date Revised 17.04.2024 published: Print-Electronic Citation Status Publisher |
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| doi: |
10.4155/fmc-2024-0039 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM371185475 |
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|---|---|---|---|
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| 041 | |a eng | ||
| 100 | 1 | |a Stevanović, Milica Z |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Synthesis, in vitro and in silico anticancer evaluation of novel pyridin-2-yl estra-1,3,5(10)-triene derivatives |
| 264 | 1 | |c 2024 | |
| 336 | |a Text |b txt |2 rdacontent | ||
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| 500 | |a Date Revised 17.04.2024 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status Publisher | ||
| 520 | |a Aim: The aim of this study was the synthesis of steroid compounds with heterocyclic rings and good anticancer properties. Materials & methods: The synthesis, in silico and in vitro anticancer testing of novel pyridin-2-yl estra-1,3,5(10)-triene derivatives was performed. Results: All synthesized compounds have shown promising results for, antiproliferative activity, relative binding affinities for the ligand binding domains of estrogen receptors α, β and androgen receptor, aromatase binding potential, and inhibition of AKR1C3 enzyme. Conclusion: 3-Benzyloxy (17E)-pycolinilidene derivative 9 showed the best antitumor potential against MDA-MB-231 cell line, an activity that can be explained by its moderate inhibition of AKR1C3. Molecular docking simulation indicates that it binds to AKR1C3 in a very similar orientation and geometry as steroidal inhibitor EM1404 | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a 2-picolyl steroids | |
| 650 | 4 | |a aldo-keto reductase | |
| 650 | 4 | |a antiproliferative activity | |
| 650 | 4 | |a aromatase | |
| 650 | 4 | |a hormone receptors | |
| 650 | 4 | |a in silico ADME | |
| 650 | 4 | |a molecular docking | |
| 650 | 4 | |a picolinylidene | |
| 700 | 1 | |a Bekić, Sofija S |e verfasserin |4 aut | |
| 700 | 1 | |a Petri, Edward T |e verfasserin |4 aut | |
| 700 | 1 | |a Ćelić, Andjelka S |e verfasserin |4 aut | |
| 700 | 1 | |a Jakimov, Dimitar S |e verfasserin |4 aut | |
| 700 | 1 | |a Sakač, Marija N |e verfasserin |4 aut | |
| 700 | 1 | |a Kuzminac, Ivana Z |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Future medicinal chemistry |d 2009 |g (2024) vom: 17. Apr. |w (DE-627)NLM194822109 |x 1756-8927 |7 nnns |
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| 856 | 4 | 0 | |u http://dx.doi.org/10.4155/fmc-2024-0039 |3 Volltext |
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