T I Oprea
Overview
Explore the profile of T I Oprea including associated specialties, affiliations and a list of published articles.
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Articles
18
Citations
646
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0
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Recent Articles
1.
Gentile F, Oprea T, Tropsha A, Cherkasov A
Chem Soc Rev
. 2023 Jan;
52(3):872-878.
PMID: 36644974
In the wake of recent COVID-19 pandemics scientists around the world rushed to deliver numerous CADD (Computer-Aided Drug Discovery) methods and tools that could be reliably used to discover novel...
2.
Oprea T, Mestres J
AAPS J
. 2012 Jul;
14(4):759-63.
PMID: 22826034
Repurposing drugs requires finding novel therapeutic indications compared to the ones for which they were already approved. This is an increasingly utilized strategy for finding novel medicines, one that capitalizes...
3.
Mestres J, Seifert S, Oprea T
Clin Pharmacol Ther
. 2011 Oct;
90(5):662-5.
PMID: 21975349
The link between cyclobenzaprine (Flexeril) administration and serotonin syndrome (SS) is subject to debate. Establishing such a connection is difficult because of the limited number of case reports available and...
4.
Oprea T, Kurunczi L, Olah M, Simon Z
SAR QSAR Environ Res
. 2001 Nov;
12(1-2):75-92.
PMID: 11697061
MTD-PLS, the Partial Least Squares (PLS) variant of the Minimum Topological Difference (MTD) method is described. In MTD-PLS, molecules are characterised not only by the occupancy or nonoccupancy of the...
5.
Oprea T
SAR QSAR Environ Res
. 2001 Nov;
12(1-2):129-41.
PMID: 11697052
Novel NPH (Nonpolar, Polar, Hydrogen) descriptors for rapid estimation of hydrophobicity, amenable for filtering extremely large virtual combinatorial libraries (VCL) are proposed, based on atom counts: P_at, the sum of...
6.
Oprea T, Davis A, Teague S, Leeson P
J Chem Inf Comput Sci
. 2001 Oct;
41(5):1308-15.
PMID: 11604031
To be considered for further development, lead structures should display the following properties: (1) simple chemical features, amenable for chemistry optimization; (2) membership to an established SAR series; (3) favorable...
7.
Olsson T, Oprea T
Curr Opin Drug Discov Devel
. 2001 Sep;
4(3):308-13.
PMID: 11560063
Cheminformatics is a tool that aims at facilitating the decision-making process across various preclinical stages of drug discovery. Access to biological and chemical data, but not the data themselves, is...
8.
Oprea T, Gottfries J
J Comb Chem
. 2001 Apr;
3(2):157-66.
PMID: 11300855
Combinatorial chemistry needs focused molecular diversity applied to the druglike chemical space (drugspace). A drugspace map can be obtained by systematically applying the same conventions when examining the chemical space,...
9.
Oprea T, Gottfries J, Sherbukhin V, Svensson P, Kuhler T
J Mol Graph Model
. 2001 Jan;
18(4-5):512-24, 541.
PMID: 11143566
Structure-property relationships, central to many of today's drug discovery strategies, are not straightforward to deal with when trying to predict drug efficacy, that is, the combined outcome of target affinity,...
10.
Oprea T, Gottfries J
J Mol Graph Model
. 2000 Jun;
17(5-6):261-74, 329.
PMID: 10840686
Poor intestinal permeability of drugs constitutes a major bottleneck in the successful development of candidate drugs. Fast computational tools to help in designing compounds with increased probability of oral absorption...