Zobrazeno 1 - 10
of 33
pro vyhledávání: '"Liliana Pacureanu"'
Autor:
Smaranda Dafina Oniga, Liliana Pacureanu, Cristina Ioana Stoica, Mariana Doina Palage, Alexandra Crăciun, Laurentiu Răzvan Rusu, Elena-Luminita Crisan, Cătălin Araniciu
Publikováno v:
Molecules, Vol 22, Iss 9, p 1507 (2017)
Non-steroidal anti-inflammatory drugs (NSAIDs) are commonly used therapeutic agents that exhibit frequent and sometimes severe adverse effects, including gastrointestinal ulcerations and cardiovascular disorders. In an effort to obtain safer NSAIDs,
Externí odkaz:
https://doaj.org/article/7b03394509ad4c73bf5f0b7e12a26fab
Publikováno v:
International Journal of Molecular Sciences; Volume 24; Issue 11; Pages: 9583
To facilitate the identification of novel MAO-B inhibitors, we elaborated a consolidated computational approach, including a pharmacophoric atom-based 3D quantitative structure–activity relationship (QSAR) model, activity cliffs, fingerprint, and m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=multidiscipl::470c39027e880accb7c796a23d44e193
Publikováno v:
Structural Chemistry. 30:2311-2326
The current work is focused on in silico modeling of COX-1 inhibitors with enhanced safety gastric profile. A 5-point pharmacophore model, atom-based 3D quantitative structure-activity relationship (3D-QSAR) and electronic properties were computed fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8196103c2fccb9c24640de95a0f01631
https://doi.org/10.1007/s11224-019-01414-w
https://doi.org/10.1007/s11224-019-01414-w
Publikováno v:
Revista de Chimie. 70:790-796
In this study pharmacophore modeling and molecular docking investigations have been performed on pyrazolylaminoquinazoline derivatives, highly potent fibroblast growth factor receptor2 (FGFR2) inhibitors. The best pharmacophore hypotheses displaying
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8e187481e37be8be5ba3bc25f126de4e
https://doi.org/10.37358/rc.19.3.7008
https://doi.org/10.37358/rc.19.3.7008
Publikováno v:
The 24th International Electronic Conference on Synthetic Organic Chemistry.
Glycogen synthase kinase-3 (GSK-3), one of the main tau kinases involved in a variety of cellular processes, has been evidenced as a promising target for Alzheimer’s disease (AD) treatment. In recent years, great efforts have been made to discover
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a7f187a30157eac29a8f56cf60eb3a5e
https://doi.org/10.3390/ecsoc-24-08341
https://doi.org/10.3390/ecsoc-24-08341
In Silico Study of Some Natural Flavonoids as Potential Agents against COVID-19: Preliminary Results
Publikováno v:
The 24th International Electronic Conference on Synthetic Organic Chemistry.
Flavonoids, widely distributed in fruits, vegetables, and medicinal herbs, are compounds with multiple biological benefits to human health from anti-inflammatory, antioxidant, anticancer, antibacterial to antiviral activity. Coronavirus disease 2019
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3f2065e615a605c17e47c7d7353d9033
https://doi.org/10.3390/ecsoc-24-08343
https://doi.org/10.3390/ecsoc-24-08343
Publikováno v:
Molecular diversity. 25(3)
The main study's purpose is to detect novel natural products (NPs) that are potentially selective MAO-B inhibitors and, additionally, to computationally reposition the marketed drugs with a new therapeutic role for Parkinson's disease. To reach the g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ae99ec793e7817afd248ae3c60fb51cf
https://pubmed.ncbi.nlm.nih.gov/33237524
https://pubmed.ncbi.nlm.nih.gov/33237524
Publikováno v:
Structural Chemistry. 30:911-923
The striking structural resemblance between adenosine triphosphate (ATP) binding sites of glycogen synthase kinase-3 (GSK-3) and cyclin-dependent kinase-2 (CDK-2) raises numerous off-target selectivity problems in lead-identification processes that m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cd10d78046e31e141c0d9242529a47d0
https://doi.org/10.1007/s11224-018-1224-z
https://doi.org/10.1007/s11224-018-1224-z
Publikováno v:
Molecular informaticsReferences. 39(6)
The current work was conducted to investigate the effectiveness of two conceptually distinct in silico ligand-based tools: Partial Least Squares Discriminant Analysis (PLS-DA) and 3D similarity, including shape, physico-chemical and electrostatics to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7548c1546ec16d483ea93699906ae5da
https://pubmed.ncbi.nlm.nih.gov/31944600
https://pubmed.ncbi.nlm.nih.gov/31944600
Autor:
Adrian MIHALA, Edward ŞECLĂMAN, Corneliu VELICESCU, Liliana PACUREANU, Zeno SIMON, Sorin URSONIU, Niculina MANG, Andrei ANGHEL
Publikováno v:
Annals of West University of Timisoara: Series of Biology, Vol 18, Iss 1, Pp 27-32 (2015)
A reliability analysis attempt is hereby presented for point mutations in Escherichia coli DNA replication without considering the postreplicative correction by the DNA mismatch repair system. Rates for correct and false enzymatic and mechanochemical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doajarticles::47191489bc44715019afb5dccff80ff6
http://www.biologie.uvt.ro/annals/vol_18_1/AWUTSerBio_June2015_27-32.pdf
http://www.biologie.uvt.ro/annals/vol_18_1/AWUTSerBio_June2015_27-32.pdf