Single or Multiple Access Channels to the CYP450s Active Site? An Answer from Free Energy Simulations of the Human Aromatase Enzyme-Reference-Cited by-同舟云学术

Single or Multiple Access Channels to the CYP450s Active Site? An Answer from Free Energy Simulations of the Human Aromatase Enzyme

Published:2017-04-24 Issue:9 Volume:8 Page:2036-2042
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Magistrato Alessandra¹^ORCID,Sgrignani Jacopo²^ORCID,Krause Rolf³,Cavalli Andrea²

Affiliation:

1. CNR-IOM c/o SISSA, via Bonomea 265, 34136 Trieste, Italy

2. Institute for Research in Biomedicine (IRB), Università della Svizzera Italiana (USI), Via Vincenzo Vela 6, CH-6500 Bellinzona, Switzerland

3. Institute of Computational Science, Faculty of Informatics, Università della Svizzera Italiana (USI), Via Giuseppe Buffi 13, CH-6900 Lugano, Switzerland

Funder

Associazione Italiana per la Ricerca sul Cancro

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.7b00697

Reference50 articles.

1. Targeting cytochrome P450 enzymes: A new approach in anti-cancer drug development

2. The ins and outs of cytochrome P450s

3. Interactions of cytochrome P450s with their ligands

4. Probing possible egress channels for multiple ligands in human CYP3A4: A molecular modeling study

5. Do mammalian cytochrome P450s show multiple ligand access pathways and ligand channelling?

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