Rational design of berberine-based FtsZ inhibitors with broad-spectrum antibacterial activity.

Autor: Ning Sun, Fung-Yi Chan, Yu-Jing Lu, Marco A C Neves, Hok-Kiu Lui, Yong Wang, Ka-Yan Chow, Kin-Fai Chan, Siu-Cheong Yan, Yun-Chung Leung, Ruben Abagyan, Tak-Hang Chan, Kwok-Yin Wong

Publikováno v: PLoS ONE, Vol 9, Iss 5, p e97514 (2014)

Inhibition of the functional activity of Filamenting temperature-sensitive mutant Z (FtsZ) protein, an essential and highly conserved bacterial cytokinesis protein, is a promising approach for the development of a new class of antibacterial agents. B

Externí odkaz: https://doaj.org/article/165365f180664c9f9463c5cb841b119a

Unusual Arginine Formations in Protein Function and Assembly: Rings, Strings, and Stacks

Autor: Mark Yeager, Ruben Abagyan, Marco A. C. Neves

Publikováno v: The Journal of Physical Chemistry B. 116:7006-7013

Protein-protein interfaces are often stabilized by a small number of dominant contacts, exemplified by the overrepresentation of arginine residues at oligomerization interfaces. Positively charged arginines are most commonly involved in ion pairs of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5b5840606d542296d162970a8a46355d
https://doi.org/10.1021/jp3009699

Molecular Recognition and Drug-Lead Identification: What Can Molecular Simulations Tell Us?

Autor: Marco A. C. Neves, Kenneth M. Merz, Giulia Morra, Alessandro Genoni, Giorgio Colombo

Publikováno v: ResearcherID
Current Medicinal Chemistry
Current Medicinal Chemistry, Bentham Science Publishers, 2010, 17 (1), pp.25-41. ⟨10.2174/092986710789957797⟩

International audience; Molecular recognition and ligand binding involving proteins underlie the most important life processes within the cell, such as substrate transport, catalysis, signal transmission, receptor trafficking, gene regulation, switch

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::05b161e30f55c0b815c867a817671b1d
https://doi.org/10.2174/092986710789957797

Combining Computational and Biochemical Studies for a Rationale on the Anti-Aromatase Activity of Natural Polyphenols

Autor: Marco A. C. Neves, Teresa C.P. Dinis, M. Luisa Sá e Melo, Giorgio Colombo

Publikováno v: Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP

Aromatase, an enzyme of the cytochrome P450 family, is a very important pharmacological target, particularly for the treatment of breast cancer. The anti-aromatase activity of a set of natural polyphenolic compounds was evaluated in vitro. Strong aro

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::68551efdf883b0fbdda8624b1e7d2e2d
https://doi.org/10.1002/cmdc.200700149

Rational design of berberine-based FtsZ inhibitors with broad-spectrum antibacterial activity

Autor: Hok-Kiu Lui, Ka-Yan Chow, Fung-Yi Chan, Ning Sun, Siu-Cheong Yan, Ruben Abagyan, Kwok Yin Wong, Yu-Jing Lu, Kin-Fai Chan, Tak Hang Chan, Yong Wang, Yun Chung Leung, Marco A. C. Neves

Publikováno v: PLoS ONE, Vol 9, Iss 5, p e97514 (2014)
PLoS ONE
PloS one, vol 9, iss 5

Inhibition of the functional activity of Filamenting temperature-sensitive mutant Z (FtsZ) protein, an essential and highly conserved bacterial cytokinesis protein, is a promising approach for the development of a new class of antibacterial agents. B

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b2ae4121aa6932f8b781be24f9d1978
http://europepmc.org/articles/PMC4019636?pdf=render