MolBioMed
@MolBioMed
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MolBioMed (Molecular Biomedicine) is a Computational and Theoretical Chemistry Research Group at the @qfuab, @FCienciesUAB, @UABBarceloa
Cerdanyola del Vallès, España
Joined May 2020
🚨 New paper out in @RSCAdvances! We explored allosteric inhibition of ALOX15 with sulfamoylcarbamates. https://t.co/c8lePGjiaM
pubs.rsc.org
Mammalian ALOX15 are allosteric enzymes but the mechanism of allosteric regulation remains a matter of discussion. Octyl (N-(5-(1H-indol-2-yl)-2-methoxyphenyl)sulfamoyl)carbamate inhibits the...
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🎉 Durant els últims mesos s’han incorporat al grup l'Alba Villar Yanez (@AlbaVillarYanez) com a investigadora postdoctoral per treballar en fàrmacs fotoactivables i el Pedro Martínez Zaragoza com a investigador predoctoral per treballar en càncer i inflamació! Benvinguts!💪
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Big news! Our work is on the COVER of the February issue of Protein Science! 🔬🎉🌟 https://t.co/Z4CM15roGL
onlinelibrary.wiley.com
Allosteric structural communication path between the NANQ-IMC6 ligands in monomer A and monomer B of the homodimer of human Cyclooxygenase-2. For details, see: Álex Pérez-Sánchez, et al., Protein...
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🚨 Today, Pedro Martínez Zaragoza presented his Master's Thesis at UB: "Allosteric regulation of hALOX12 catalysis of 14S-HpDHA epoxidation/oxygenation competitive pathways." A groundbreaking contribution to understanding enzyme regulation in lipid metabolism! 👏
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🎄 Excited to share that my first scientific paper is published today on Christmas! 🎉 It’s now available in Protein Science: https://t.co/1Q1c01tgl4 Wishing you all a Merry Christmas! 🎅✨
onlinelibrary.wiley.com
Cyclooxygenase-2 (COX-2) plays a crucial role in inflammation and has been implicated in cancer development. Understanding the behavior of COX-2 in different cellular contexts is essential for...
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⚠️📢New paper out! @ACS_Omega By Ricard Gelabert, Miquel Moreno and José M. Lluch https://t.co/Z0fg96Z4mZ
pubs.acs.org
Numerical simulations of the absorption bands of photoswitch E-o-tetrafluoroazobenzene in DMSO solution under one-, two-, and three-photon absorption conditions combined with the analysis of the...
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🎓 Last week, Susana and Guillem successfully presented their Bachelor's final thesis on Chemistry! 🧪✨ We're incredibly proud of their hard work and dedication. Congratulations to both of you on this remarkable achievement! 👏🎉 #Chemistry #ThesisDefense
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Last week, I presented at the 9th European Workshop in Lipid Mediators in Edinburgh! As the only computational chemist, it was fantastic to share my work and learn from field experts. Thanks to the organizers for the travel grant! Excited to apply what I've learned! #9EWLM
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Today, our former member Alejandro Cruz presented his research on GPCR allosteric modulators at the @espa2024 conference. He came from the University of Southern California, where he is doing his postdoc. It was an excellent talk!
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Excited to share the progress of my ongoing research, "Unraveling the Activation of EP4 Receptor by Prostaglandin E2," at @espa2024! Looking forward to insightful discussions and feedback. #ESPA2024 #ScientificResearch #Receptors #Inflammation
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Now is the turn of Álex Pérez, from Universitat Autònoma de Barcelona. His oral communication is related with “Understanding COX-2 for the Design of New Cancer Drugs: Computational Study with Specific Photochromic Compounds” #J2IFAM2024
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⚠️📢 First paper of 2024 out! @ACSCatalysis Theoretical Study of the Arachidonic Acid Conversion into Leukotriene A4 Catalyzed by Human 5-Lipoxygenase: Hydroperoxidation and Epoxidation Mechanisms and Arachidonic Acid Active Site Access https://t.co/06R5hM9ZRE
pubs.acs.org
Inflammation is at the base of many different diseases. Leukotrienes (LTs) are pro-inflammatory mediators derived from arachidonic acid (AA), which play significant roles in acute inflammation....
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Congratulations to @mikicanyellesn on successfully defending his thesis! 🎓🥳 Our research group is proud to announce that we have a new Doctor in the house! 🌟 #PhD
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⚠️ New paper out! @angew_chem Three-Photon Infrared Stimulation of Endogenous Neuroreceptors in Vivo. https://t.co/6qb6rRT8eT
onlinelibrary.wiley.com
The photoswitchable muscarinic agonist PAI can regulate zebrafish brain activity at 25 pM with 1560 nm mid-infrared light. The cis isomer of PAI does not activate the M2 muscarinic acetylcholine...
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Excited to present my first poster at #EuChemSCompChem2023 in Thessaloniki, Greece! 🇬🇷 Sharing insights and connecting with fellow researchers in the world of computational chemistry. #ScienceNetworking #ResearchJourney
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⚠️📢New paper out! @Molecules_MDPI By Zhuravlev, A.; Cruz, A.; Chen, X.; Aksenov, V.; Golovanov, A.; Lluch J. M.; Kuhn, H.; González-Lafont, À.; Ivanov, I. https://t.co/7p7wSxGPBI
mdpi.com
Mammalian 15-lipoxygenases (ALOX15) are lipid peroxidizing enzymes that exhibit variable functionality in different cancer and inflammation models. The pathophysiological role of linoleic acid- and...
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⚠️Check our last paper! @IJMS_MDPI Functional Characterization of Mouse and Human Arachidonic Acid Lipoxygenase 15B (ALOX15B) Orthologs and of Their Mutants Exhibiting Humanized and Murinized Reaction Specificities https://t.co/eHzS4zkI7r
mdpi.com
The arachidonic acid lipoxygenase 15B (ALOX15B) orthologs of men and mice form different reaction products when arachidonic acid is used as the substrate. Tyr603Asp+His604Val double mutation in mouse...
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Today Pedro Martínez presented his Bachelor's Degree Final Project entitled: "Exploring 14S-HpDHA binding modes and its negative allosteric modulation in hALOX12-catalyzed MaR1 biosynthesis". If you want to know what it was about, follow this link: https://t.co/Ri9MyRjWEh
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This paper is part of the Special Issue "Lipid Signaling and Metabolism in Inflammation-Associated Diseases", edited by Prof. Dr. Hartmut Kühn via @IJMS_MDPI
https://t.co/QgPEzpL2No
mdpi.com
Special Issue in journal International Journal of Molecular Sciences: Lipid Signaling and Metabolism in Inflammation-Associated Diseases
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⚠️📢New paper out! @IJMS_MDPI Hydroperoxidation of Docosahexaenoic Acid by Human ALOX12 and pigALOX15-mini-LOX by M. Canyelles-Niño (@mikicanyellesn), À. González-Lafont & José M. Lluch https://t.co/lkYipmeEm4
mdpi.com
Human lipoxygenase 12 (hALOX12) catalyzes the conversion of docosahexaenoic acid (DHA) into mainly 14S-hydroperoxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic acid (14S-H(p)DHA). This hydroperoxidation...
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