Scientific Patents02. WO/2009/125191 – 15.10.2009 (Pub) – PCT/GB2009/000936 – 09.04.2009
Brancale A, Vlachakis D, Berry C, Neyts J.
HCV ANTIVIRAL DRUG DESIGN, BENZENE DERIVATIVES Compounds, which according to the invention can display potent inhibition against Hepatitis C Virus (HCV) helicase and potent anti-viral activity against HCV.
Compounds with the general formula (I): are described wherein R1, R2, R3, R4, R5, Q, T, X, Y and Z are as defined. Molecular entities according to the invention can display potent inhibition against Hepatitis C Virus (HCV) helicase and potent anti-viral activity against HCV. 01. GR/2012/0100266 – 21.05.2012 (Pub) – 201201605 – 21.05.2012
Kossida S, Vlachakis D, Tsiliki G, Pavlopoulou A.
3D PHARMACOPHORE FOR THE DESIGN OF HUMAN POLYADENOSINE RIBONUCLEASE(PARN) INHIBITORS This invention is about a highly specific, custom-made three dimensional Pharmacophore model for the catalytic site of the human poly-adenosine ribonuclease (PARN).
The present invention relates to means and methods for the design of highly specific anti-PARN agent using our 3D pharmacophore model. Using a library of previously published modified nucleoside analog substrates acting in the proximity of the scissile bond of PARN, we conducted structure – activity relationship (SAR) analysis, structural characterization and complex (receptor-ligand) based molecular dynamics simulations that led to the design of a PARN-specific pharmacophore model. Our full pharmacophore model consists of five pharmacophoric annotation points, which include two hydrogen donating PAPs, one hydrophobic PAP, one aromatic PAP and a hydrogen accepting PAP, in the vicinity of human poly-Adenosine ribonuclease catalytic site.