Correction: Reyes Romero et al. Computer- and NMR-Aided Design of Small-Molecule Inhibitors of the Hub1 Protein. Molecules 2022, 27, 8282

Autor: Atilio Reyes Romero, Katarzyna Kubica, Radoslaw Kitel, Ismael Rodríguez, Katarzyna Magiera-Mularz, Alexander Dömling, Tad A. Holak, Ewa Surmiak

Publikováno v: Molecules, Vol 29, Iss 12, p 2926 (2024)

In the published publication [...]

Externí odkaz: https://doaj.org/article/07c96bba301f4128b33fe3b92feb0447

Genetic predisposition to porto-sinusoidal vascular disorder: A functional genomic-based, multigenerational family study

Autor: Jingxuan Shan, André Megarbane, Aziz Chouchane, Deepak Karthik, Ramzi Temanni, Atilio Reyes Romero, Huiying Hua, Chun Pan, Xixi Chen, Murugan Subramanian, Chadi Saad, Hamdi Mbarek, Cybel Mehawej, Eliane Chouery, Sirin W. Abuaqel, Alexander Dömling, Sami Remadi, Cesar Yaghi, Pu Li, Lotfi Chouchane

Publikováno v: Hepatology, 77(2), 501-511. Wiley

Background and Aims: Porto-sinusoidal vascular disorder (PSVD) is a group of liver vascular diseases featuring lesions encompassing the portal venules and sinusoids unaccompanied by cirrhosis, irrespective of the presence/absence of portal hypertensi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fa8416a3e5c4888bf7ef234b5afe101e
https://research.rug.nl/en/publications/d09352ba-1531-43cd-a1a2-2ff122dd7dff

Benchmark of Generic Shapes for Macrocycles

Autor: Alexander Dömling, Atilio Reyes Romero, Angel J Ruiz-Moreno, Marco A. Velasco-Velázquez, Matthew Groves

Publikováno v: Journal of chemical information and modeling, 60(12), 6298-6313. AMER CHEMICAL SOC INC
Journal of Chemical Information and Modeling

Macrocycles target proteins that are otherwise considered undruggable because of a lack of hydrophobic cavities and the presence of extended featureless surfaces. Increasing efforts by computational chemists have developed effective software to overc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea49d75818a9018c56dd6ea367845eb8
https://research.rug.nl/en/publications/6211c2c8-5d54-4658-9f3a-64f131c6e8a3

Correction: ‘Chemistry at the speed of sound’: automated 1536-well nanoscale synthesis of 16 scaffolds in parallel

Autor: Li Gao, Shabnam Shaabani, Atilio Reyes Romero, Ruixue Xu, Maryam Ahmadianmoghaddam, Alexander Dömling

Publikováno v: Green Chemistry. 25:4138-4138

The authors regret that there was an inaccuracy present in the affiliation information for one of the authors, Alexander Dömling, in the original manuscript. The work was performed at the Department of Drug Design, University of Groningen, Groningen

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ce06f954b58482c6eb5c1dca5556cdd
https://doi.org/10.1039/d3gc90037a

A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity

Autor: Alexander Dömling, Atilio Reyes Romero, Michał Taube, Vito Calderone, Maciej Kozak, Matteo Gentili, Tad A. Holak, Michael Sattler, Grzegorz M Popowicz, Matthew Groves, Serjey Lunev, Jacek Plewka

Publikováno v: Communications biology, 4(1):949. Nature Publishing Group
Communications Biology
Communications Biology, Vol 4, Iss 1, Pp 1-12 (2021)
Comm. Biol. 4:949 (2021)

Malate dehydrogenases (MDHs) sustain tumor growth and carbon metabolism by pathogens including Plasmodium falciparum. However, clinical success of MDH inhibitors is absent, as current small molecule approaches targeting the active site are unselectiv

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c9c3a8f0c468b7e8583ade20bb06082d
http://hdl.handle.net/2158/1241842