Design, Synthesis, Molecular Modelling and Anticancer Activities of New Fused Phenanthrolines
| Autor: | Gheorghita Zbancioc, Anda Mihaela Craciun, Cristina M. Al Matarneh, Ionel I. Mangalagiu, Ramona Danac, Roxana Maria Amarandi |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Models
Molecular Stereochemistry Pharmaceutical Science Antineoplastic Agents Chemistry Techniques Synthetic Molecular Dynamics Simulation anticancer 01 natural sciences Article Analytical Chemistry lcsh:QD241-441 chemistry.chemical_compound Broad spectrum Structure-Activity Relationship lcsh:Organic chemistry Colchicine binding Cell Line Tumor Drug Discovery Humans Physical and Theoretical Chemistry Cell Proliferation phenstatin phenanthrolines biology Molecular Structure 010405 organic chemistry Organic Chemistry Phenstatin 0104 chemical sciences Molecular Docking Simulation 010404 medicinal & biomolecular chemistry Tubulin chemistry Design synthesis Chemistry (miscellaneous) Cell culture Drug Design biology.protein 3 + 2 cycloaddition Molecular Medicine tubulin docking Growth inhibition Human cancer |
| Zdroj: | Molecules, Vol 25, Iss 3, p 527 (2020) Molecules Volume 25 Issue 3 |
| ISSN: | 1420-3049 |
| Popis: | Three series of fused pyrrolophenanthroline derivatives were designed as analogues of phenstatin and synthesized in two steps starting with 1,7-phenanthroline, 4,7-phenanthroline and 1,10-phenanthroline, respectively. Two (Compounds 8a and 11c) of the four compounds tested against a panel of sixty human cancer cell lines of the National Cancer Institute (NCI) exhibited significant growth inhibition activity on several cell lines. Compound 11c showed a broad spectrum in terms of antiproliferative efficacy with GI50 values in the range of 0.296 to 250 &mu M. Molecular docking studies indicated that Compounds 8a and 11c are accommodated in the colchicine binding site of tubulin in two different ways. |
| Databáze: | OpenAIRE |
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