Comprehensive multi-omics database for highly infectious viruses: a focus on HIV, Ebola and SARS-CoV-2

Lima, A. S.; Carneiro, J.; Sousa, S.; Sá, Vítor Júlio; Pratas, D.

Publication

Comprehensive multi-omics database for highly infectious viruses: a focus on HIV, Ebola and SARS-CoV-2

2025-03Conference poster

dc.contributor.author	Lima, A. S.
dc.contributor.author	Carneiro, J.
dc.contributor.author	Sousa, S.
dc.contributor.author	Sá, Vítor Júlio
dc.contributor.author	Pratas, D.
dc.date.accessioned	2025-11-06T10:44:27Z
dc.date.available	2025-11-06T10:44:27Z
dc.date.issued	2025-03
dc.description.abstract	Highly infectious viruses, such as HIV, Ebola, and SARS-CoV-2, continue to pose significant threats to global health, underlining the urgent need for new therapeutic approaches. Recent advancements in genomic and proteomic databases, along with 3D homology modelling, have enabled detailed simulations of virus-host interactions, providing insights into infection mechanisms and helping identify potential therapeutic targets. This study aimed to create a unified database of highly infectious viruses and to conduct structural analyses of key viral proteins to explore potential therapeutic strategies. Structural information for proteins involved in the infection process was sourced from the Protein Data Bank and UniProt, while 3D homology models for significant viral variants were generated using AlphaFold. The quality of these models was assessed using AlphaFold-specific metrics, including pLDDT (per-residue confidence scores) and PAE (predicted aligned error), ensuring the structural reliability for further analyses. Identification of the most relevant structural changes was done through alanine scanning in Schrödinger’s Biologic Suite, with posterior studies on how those changes affected the infection process. Simulations of virus-host interactions were conducted using docking algorithms, namely HADDOCK, with visualizations performed using PyMOL. This integrative approach highlights high-confidence therapeutic targets and provides a foundation for developing novel effective treatments for highly infectious diseases.	por
dc.identifier.citation	Lima, A. S., Carneiro, J., Sousa, S., & Sá, V. J. (2025). Comprehensive multi-omics database for highly infectious viruses: A focus on HIV, Ebola and SARS-CoV-2. Bioinformatics Open Days XIV edition - Book of Abstracts, 42.
dc.identifier.uri	http://hdl.handle.net/10400.22/30749
dc.language.iso	eng
dc.peerreviewed	yes
dc.relation	UIDB/04423/2020 , UIDP/04423/2020, UIDB/00319/2020, UIDB/00127/2020
dc.relation.hasversion	https://bioinformaticsopendays.com/
dc.rights.uri	http://creativecommons.org/licenses/by/4.0/
dc.title	Comprehensive multi-omics database for highly infectious viruses: a focus on HIV, Ebola and SARS-CoV-2	por
dc.type	conference poster
dspace.entity.type	Publication
oaire.citation.conferenceDate	2025-03
oaire.citation.conferencePlace	Gualtar Campus
oaire.citation.title	Bioinformatics Open Days XIV edition - Book of Abstracts
oaire.version	http://purl.org/coar/version/c_970fb48d4fbd8a85