Researchers at the UJI design small molecules that inhibit enzymes in infectious processes



[Valencià](/upo/rest/publicacion/idioma/ca?urlRedirect=https://www.uji.es/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/&url=/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/&urlRedirect=https://www.uji.es/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/ "Cambiar idioma a català")
[Español](/upo/rest/publicacion/idioma/es?urlRedirect=https://www.uji.es/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/&url=/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/&urlRedirect=https://www.uji.es/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/ "Cambiar idioma a español")
[English](#0)

Mobile menu

* [Profile](#0)
  + [Future students](/perfils/futurs/)
  + [UJI students](/perfils/estudiantat/uji/)
  + [PDI-PI](/perfils/pdipas/base/pdi/)
  + [PTGAS](/perfils/pdipas/base/pas/)
  + [AlumniSAUJI](/serveis/alumnisauji/)
  + [Companies and institutions](/perfils/empresa/)
* [Tools](#0)
  + [Virtual Classroom](https://aulavirtual.uji.es/)
  + [CAU](https://cau.uji.es/)
  + [Directory](//www.uji.es/institucional/contacta/)
  + [Gmail](http://gmail.uji.es/)
  + [Intranet (IGLU)](//www.uji.es/upo/rest/iglu/)
  + [Virtual Office](/seu/)
  + [Academic information (SIA)](http://sia.uji.es/)
  + [Others](//www.uji.es/serveis/scp/eines/)
* [Valencià](/upo/rest/publicacion/idioma/ca?urlRedirect=https://www.uji.es/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/&url=/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/&urlRedirect=https://www.uji.es/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/ "Cambiar idioma a català")
  [Español](/upo/rest/publicacion/idioma/es?urlRedirect=https://www.uji.es/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/&url=/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/&urlRedirect=https://www.uji.es/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/ "Cambiar idioma a español")
  [English](#0)

[# Universitat Jaume I](/)

* [# Universitat Jaume I](/)
* [Profile](#0)
  + [Future students](/perfils/futurs/)
  + [UJI students](/perfils/estudiantat/uji/)
  + [PDI-PI](/perfils/pdipas/base/pdi/)
  + [PTGAS](/perfils/pdipas/base/pas/)
  + [AlumniSAUJI](/serveis/alumnisauji/)
  + [Companies and institutions](/perfils/empresa/)
* [Tools](#0)
  + [Virtual Classroom](https://aulavirtual.uji.es/)
  + [CAU](https://cau.uji.es/)
  + [Directory](//www.uji.es/institucional/contacta/)
  + [Gmail](http://gmail.uji.es/)
  + [Intranet (IGLU)](//www.uji.es/upo/rest/iglu/)
  + [Virtual Office](/seu/)
  + [Academic information (SIA)](http://sia.uji.es/)
  + [Others](//www.uji.es/serveis/scp/eines/)
* [Studies](/mapa/estudis/)
  + [Studies](/mapa/estudis/)
  + [Bachelor’s degrees](/estudis/)
  + [University master’s degrees](/estudis/?p_estudio=m)
  + [Doctoral studies](/estudis/oferta/doctorat/)
  + [Lifelong learning](/estudis/base/formacio-permanent/)
* [Research and innovation](/investigacio/)
  + [Research and innovation](/investigacio/)
  + [Research portal](/investigacio/)
  + [Innovation](/innovacio/)
  + [Doctoral studies](/centres/escola-doctorat/)
  + [HRS4R](/investigacio/hrs4r/)
* [International](/internacional/)
  + [International](/internacional/)
  + [International Students](/internacional/base/estudiantat/estudiantado-internacional/)
  + [Exchange Programmes](/serveis/ori/base/programes-intercanvi/)
  + [Study Abroad](/internacional/base/study-abroad/)
* [UJI](/mapa/uji/)
  + [UJI](/mapa/uji/)
  + [Get to know the UJI](/mapa/uji/coneix-uji/)
  + [Structure and organisation](/institucional/estructura/)
  + [Strategy and quality](/institucional/estrategia/)
  + [Transparency](/transparencia/)
  + [Public integrity](/transparencia/liniaetica/)
  + [News](/actualitat/)
  + [Contact the UJI](/institucional/contacta/)
* [University life](/mapa/vida-universitaria/)
  + [University life](/mapa/serveis/)
  + [Library](/serveis/cd/)
  + [Campus](/mapa/uji/coneix-uji/campus/)
  + [Culture](/cultura/)
  + [Sports](/esports/)
  + [InfoCampus](/serveis/infocampus/)

[UJI](/)
[News](/com/sumari/noticies/)

## Researchers at the UJI design small molecules that inhibit enzymes in infectious processes The study has delved into the role of glycosidases, key to digest carbohydrates, control infections by pathogens or antibacterial defense

07/11/2018 |
SCP

Compartir

Compartir

×

Linkedin

BlueSky

Facebook

Mastodon

Whatsapp

Gmail

Imprimir

Image resource enzims-processos-infecciosos \_S9B1362
Current slide

Image resource enzims-processos-infecciosos molecula

Image resource enzims-processos-infecciosos \_S9B1348

* [![ enzims-processos-infecciosos _S9B1362](/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/_S9B1362.jpg)](#)
* [![ enzims-processos-infecciosos molecula](/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/molecula.bmp)](#)
* [![ enzims-processos-infecciosos _S9B1348](/com/investigacio/arxiu/noticies/2018/11/enzims-processos-infecciosos/_S9B1348.jpg)](#)

A multidisciplinary study of the Research Group in Computational Biochemistry of the Universitat Jaume I (UJI), in collaboration with groups of universities in Canada and the United Kingdom, has designed small molecules that are able to bind and inhibit the activity of enzymes in infectious processes . The conclusions of this work, developed together with Simon Fraser University and the University of Saint Andrews, have been published in the journal *Nature Communications*.

Research has shown how new molecules, similar to carbohydrates but of small dimensions, are linked to the enzymes responsible for their degradation, glucosidases. "We have synthesized new molecules, we have taken measurements of their inhibitory activity, we have obtained structures by means of X-ray diffraction and we have done computational simulations on the whole process", explains the director of the Computational Biochemistry group, Vicent Moliner. Results have demonstrated the ability of these new molecules to inhibit the activity of this particular type of glycosidase enzymes.

Moliner, professor of Physical Chemistry at the UJI, believes that this study "may represent the first step for the design of new drugs", since glycosidases are not only critical enzymes for digesting carbohydrates, but are also key players in the infection by pathogens, in antibacterial defense and many other essential cellular processes.

The data obtained by computational simulations coincide with the experimental data of their colleagues in Canada and the United Kingdom and allow explaining how these inhibitors bind to the enzyme. "The study describes at a molecular level how the activity of a type of enzymes, glycosidases, can be inhibited. The union between these molecules and the enzyme is very strong, so they can be the germ of new drugs”, says Moliner.

**EXPERIMENTAL AND THEORETICAL COLLABORATION**

“The collaboration between experimental groups and theoretical groups is the pillar for the development of knowledge, as recently highlighted by the Swedish Academy of Sciences on the occasion of the awarding of Nobel prizes. In addition, it is crucial for the researchers themselves, since it allows the pieces of the puzzle that represent the set of results from different laboratories to be put together”, argues researcher from the same UJI group Katarzyna Świderek.

Vicent Moliner is professor of Physical Chemistry at the Universitat Jaume I and mian researcher of the Computational Biochemistry group. Dr. Katarzyna Świderek is a researcher in the same group with a Juan de la Cierva-Incorporation contract, under the responsibility of the Spanish Ministry of Science, Innovation and Universities. The group is dedicated to the development and application of theoretical methods for the study of biological processes through simulations with high-performance computers. Recently, this group from the UJI revealed how enzymes work in systems related to degenerative processes such as Alzheimer's disease.

Reference: W. Ren, R. Pengelly, M. Farren-Dai, S. Shamsi Kazem Abadi, V. Oehler, O. Akintola, J. Draper, M. Meanwell, S. Chakladar, K. Świderek, V. Moliner, R. Britton, T. M. Gloster, A. J. Bennet: "Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level". *Nature Communication* 9, Article number: 3243 (2018). DOI: 10.1038/s41467-018-05702-7

Information provided by:
[Communication and Publications Service](/serveis/scp/)

About us

[Home](/com/investigacio/cienciauji/)
[UCC+I](/serveis/scp/ucc/)

Research dissemination

[Ciència TV blog](/com/investigacio/arxiu/ciencia-uji-tv/)
[Ciència UJI newsletter](/com/investigacio/arxiu/ciencia-uji/)
[Horizon Europe newsletter](/com/investigacio/docs/butlleti-horizon-europe/)
[Comboi, a trip through science](/com/investigacio/docs/podcast-comboi-viatge-per-la-ciencia/)
[Scientific news](/com/investigacio/sumari/noticies/ )
[Easy reading news](/com/investigacio/docs/noticies-de-lectura-facil)
[News magazine. Research](/com/revista/tematica/investiga/)
[Radio](http://www.radio.uji.es/programa.php?id=46 )

Scientific divulgation

[Experimenta UJI](/com/investigacio/docs/experimenta-uji/)
[Innobar, con b de bar (Espaitec)](https://espaitec.uji.es/podcast-innobar-con-b-de-bar/)
[Magazine «Humanes i Socials»](https://humanesisocials.uji.es)
[H2020 Projects](/com/investigacio/docs/butlleti-h2020/)
[Projects and papers COVID-19](/com/investigacio/docs/estudis-articles-covid-19/)
[Research pitches](/com/investigacio/research-pitches/)
[The Conversation](/com/investigacio/docs/the-conversation/)
[UJI Divulga (Onda Cero)](/com/investigacio/docs/uji-divulga-onda-cero/)
[Scientific vocabulary](/com/investigacio/docs/vocabulari-cientific/)

Projects and studies

[Projects and studies](/serveis/scp/ucc/projectes/)

Resources of interest

[Divulgateca](http://www.divulgateca.es)

External networks

[CRUE](https://www.crue.org/)
[FECYT](https://www.fecyt.es/es/info/que-son)
[RUVID](https://ruvid.org/)



Useful links

[University card](http://www.carnet.uji.es/)

[Multimedia catalogue](http://jecom.uji.es/)

[University press](/serveis/scp/publ/)

[Web map](//www.uji.es/mapa/)

[Educational model](//www.uji.es/institucional/estrategia/modeleducatiu/)

[Language Observatory](/serveis/ol/)

[Open Knowledge Portal](/serveis/cd/bib/pco/)

[UJI shop](http://www.tenda.uji.es/)

[Security and privacy center](https://www.uji.es/organs/ouag/sg/docs/politiques/gen/)
|
[Website legal notice](https://www.uji.es/comu/avislegal/avislegalicondicions/)
|
[Accessibility policy](https://www.uji.es/serveis/ura/base/accessibilitat/)

Information and queries:
[UJI suggestion box](/comu/forms/bustia)

Universitat Jaume I CIF: Q-6250003-H Av. Vicent Sos Baynat, s/n 12071
Castellón de la Plana,
España

Tel.: +34 964 72 80 00