Alessandro Nicoli

ORCID: 0000-0001-6177-9749
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About
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Research Areas
  • Receptor Mechanisms and Signaling
  • Biochemical Analysis and Sensing Techniques
  • Olfactory and Sensory Function Studies
  • Neurobiology and Insect Physiology Research
  • Chemical Synthesis and Analysis
  • Viral gastroenteritis research and epidemiology
  • Biotin and Related Studies
  • Neuropeptides and Animal Physiology
  • Protein Structure and Dynamics
  • Respiratory viral infections research
  • Mass Spectrometry Techniques and Applications
  • Viral Infections and Vectors
  • Microbial Metabolic Engineering and Bioproduction
  • Computational Drug Discovery Methods
  • Bacteriophages and microbial interactions
  • Vector-borne infectious diseases
  • Virus-based gene therapy research
  • Monoclonal and Polyclonal Antibodies Research
  • Machine Learning in Bioinformatics
  • Bioinformatics and Genomic Networks
  • Metabolomics and Mass Spectrometry Studies
  • Mosquito-borne diseases and control

Leibniz-Institute for Food Systems Biology at the Technical University of Munich
2020-2025

Technical University of Munich
2023-2024

G protein-coupled receptors (GPCRs) constitute a functionally diverse protein family and are targets for broad spectrum of pharmaceuticals. Technological progress in X-ray crystallography cryogenic electron microscopy has enabled extensive, high-resolution structural characterisation GPCRs different conformational states. However, as highly dynamic events underlie GPCR signalling, complete understanding functionality requires insights into their dynamics. Here, we present large dataset...

10.1038/s41467-025-57034-y article EN cc-by-nc-nd Nature Communications 2025-02-27

The extracellular loop 2 (ECL2) is the longest and most diverse among class A G protein-coupled receptors (GPCRs). It connects transmembrane (TM) helices 4 5 contains a highly conserved cysteine through which it bridged with TM3. In this paper, experimental ECL2 structures were analyzed based on their sequences, shapes, intramolecular contacts. To take into account flexibility, we incorporated our analyses information from molecular dynamics trajectories available GPCRmd website. Despite...

10.1021/acs.jcim.1c01056 article EN cc-by-nc-nd Journal of Chemical Information and Modeling 2022-02-03

Abstract A large portion of the human GPCRome is still in dark and understudied, consisting even entire subfamilies GPCRs such as odorant receptors, class C orphans, adhesion GPCRs, Frizzleds taste receptors. However, it undeniable that these bring an untapped therapeutic potential should be explored further. Open questions on span diverse topics deorphanisation, development tool compounds tools for studying well understanding basic signalling mechanisms. This review gives overview current...

10.1111/bph.16325 article EN cc-by British Journal of Pharmacology 2024-02-10

With approximately 400 encoding genes in humans, odorant receptors (ORs) are the largest subfamily of class A G protein-coupled (GPCRs). Despite its high relevance and representation, odorant-GPCRome is structurally poorly characterized: no experimental structures available, low sequence identity ORs to experimentally solved GPCRs a significant challenge for their modeling. Moreover, receptive range most unknown. The receptor OR5K1 was recently comprehensively characterized terms cognate...

10.1021/acs.jcim.2c00752 article EN cc-by Journal of Chemical Information and Modeling 2023-01-25

Enzymes are essential catalysts in biological systems. Substrate inhibition, once dismissed, is now observed 20% of enzymes1 and attributed to the formation an unproductive enzyme-substrate complex, with no structural evidence unproductivity provided date1-6. This study uncovers molecular mechanism substrate inhibition tobacco glucosyltransferase NbUGT72AY1, which transfers glucose phenols for plant protection. The peculiarity that β-carotene strongly attenuates despite being a competitive...

10.1038/s41467-025-58259-7 article EN cc-by Nature Communications 2025-03-29

Tryptophan is an essential amino acid, required for the production of serotonin. It most bitter acid and its bitterness was found to be mediated by taste receptor TAS2R4. Di-tryptophan has a different selectivity profile activate three receptors, whereas tri-tryptophan activated five TAS2Rs. In this work, selectivity/promiscuity profiles mono-to-tri-tryptophans were explored using molecular modeling simulations provide new insights into recognition tryptophan. epitopes in all...

10.3390/molecules25204623 article EN cc-by Molecules 2020-10-11

Bitter taste is an unpleasant modality that affects food consumption. peptides are generated during enzymatic processes produce functional, bioactive protein hydrolysates or the aging process of fermented products such as cheese, soybean protein, and wine. Understanding underlying peptide sequences responsible for bitter can pave way more efficient identification these peptides. This paper presents BitterPep-GCN, a feature-agnostic graph convolution network prediction. The graph-based model...

10.1186/s13321-024-00909-x article EN cc-by Journal of Cheminformatics 2024-10-07

Trace amine-associated receptors (TAARs) were discovered in 2001 as new members of class A G protein-coupled (GPCRs). With the only exception TAAR1, TAAR (TAAR2-9, also known noncanonical olfactory receptors) originally described exclusively epithelium and believed to mediate innate perception volatile amines. However, most are still orphan receptors. Given its recently nonolfactory expression therapeutic potential, TAAR5 has been focus deorphanization campaigns that led discovery a few...

10.1021/acs.jcim.3c00755 article EN cc-by Journal of Chemical Information and Modeling 2023-10-17

We reveal how viral capsid protein organization and curvature critically influence the stability of reovirus–NgR1 interactions, with distinct differences observed between single proteins, 2D assemblies, 3D particles.

10.1039/d4nh00315b article EN cc-by-nc Nanoscale Horizons 2024-01-01

ABSTRACT With approximately 400 encoding genes in humans, odorant receptors (ORs) are the largest subfamily of class A G protein-coupled (GPCRs). Despite its high relevance and representation, odorant-GPCRome is structurally poorly characterized: no experimental structures available, low sequence identity ORs to experimentally solved GPCRs a significant challenge for their modeling. Moreover, receptive range most unknown. The receptor OR5K1 was recently comprehensively characterized terms...

10.1101/2022.06.01.494157 preprint EN bioRxiv (Cold Spring Harbor Laboratory) 2022-06-01

Venezuelan Equine Encephalitis virus (VEEV) is an arboviral pathogen in tropical America that causes lethal encephalitis horses and humans. VEEV classified into six subtypes (I to VI). Subtype I viruses are divided epizootic (IAB IC) endemic strains (ID IE) can produce outbreaks or sporadic diseases, respectively. The objective of this study was reconstruct the phylogeny molecular clock sequences subtype complex identify mutations within belonging enzootic focusing on a sequence isolated...

10.3390/vetsci9060258 article EN cc-by Veterinary Sciences 2022-05-28
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