Search Results - "Didžiapetris, Remigijus"

Physicochemical QSAR Analysis of Passive Permeability Across Caco-2 Monolayers by Lanevskij, Kiril, Didziapetris, Remigijus

“…Caco-2 cell line is frequently used as a simplified in vitro model of intestinal absorption. In this study, a database of 1366 Caco-2 permeability coefficients…”
Get more information

Ionization-specific prediction of blood-brain permeability by Lanevskij, Kiril, Japertas, Pranas, Didziapetris, Remigijus, Petrauskas, Alanas

“…This study presents a mechanistic QSAR analysis of passive blood-brain barrier permeability of drugs and drug-like compounds in rats and mice. The experimental…”
Get more information

Trainable structure–activity relationship model for virtual screening of CYP3A4 inhibition by Didziapetris, Remigijus, Dapkunas, Justas, Sazonovas, Andrius, Japertas, Pranas

“…A new structure–activity relationship model predicting the probability for a compound to inhibit human cytochrome P450 3A4 has been developed using data for…”
Get full text

Classification Analysis of P-Glycoprotein Substrate Specificity by Didziapetris, Remigijus, Japertas, Pranas, Avdeef, Alex, Petrauskas, Alanas

“…Prediction of P-glycoprotein substrate specificity (SPGP) can be viewed as a constituent part of a compound's "pharmaceutical profiling" in drug design. This…”
Get full text

Compilation and physicochemical classification analysis of a diverse hERG inhibition database by Didziapetris, Remigijus, Lanevskij, Kiril

“…A large and chemically diverse hERG inhibition data set comprised of 6690 compounds was constructed on the basis of ChEMBL bioactivity database and original…”
Get full text

Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency prediction by Lanevskij, Kiril, Didziapetris, Remigijus, Sazonovas, Andrius

“…In an earlier study (Didziapetris R & Lanevskij K (2016). J Comput Aided Mol Des. 30:1175–1188) we collected a database of publicly available hERG inhibition…”
Get full text

Classification structure-activity relations (C-SAR) in prediction of human intestinal absorption by Zmuidinavicius, Donatas, Didziapetris, Remigijus, Japertas, Pranas, Avdeef, Alex, Petrauskas, Alanas

“…AB/HIA is a "soft" filter for identifying compounds with poor intestinal membrane permeability. The analyzed data set included over 1000 drug-like compounds…”
Get more information

The Effects of Jatrophane Derivatives on the Reversion of MDR1- and MRP-mediated Multidrug Resistance in the MDA-MB-231 (HTB-26) Cell Line by FERREIRA, Maria-José U, GYEMANT, Nora, MADUREIRA, Ana Margarida, TANAKA, Masaru, KOOS, Kitti, DIDZIAPETRIS, Remigijus, MOLNAR, Joseph

“…Multidrug resistance (MDR) of cancer cells can be the result of a variety of mechanisms that are not completely understood. One of the most significant among…”
Get full text

Progress in toxinformatics: the challenge of predicting acute toxicity by Zmuidinavicius, Donatas, Japertas, Pranas, Petrauskas, Alanas, Didziapetris, Remigijus

“…Historically, acute toxicity based on LC(50) and LD(50) tests has been analyzed using various quantitative structure-activity relationships (QSARs). The…”
Get more information

QSAR analysis of blood-brain distribution: the influence of plasma and brain tissue binding by Lanevskij, Kiril, Dapkunas, Justas, Juska, Liutauras, Japertas, Pranas, Didziapetris, Remigijus

“…The extent of brain delivery expressed as steady-state brain/blood distribution ratio (log BB) is the most frequently used parameter for characterizing central…”
Get more information

Improving the prediction of drug disposition in the brain by Lanevskij, Kiril, Japertas, Pranas, Didziapetris, Remigijus

“…Ability to cross the blood-brain barrier is one of the key ADME characteristics of all drug candidates regardless of their target location in the body. While…”
Get more information

Ionization-specific analysis of human intestinal absorption by Reynolds, Derek P, Lanevskij, Kiril, Japertas, Pranas, Didziapetris, Remigijus, Petrauskas, Alanas

“…This study presents a mechanistic QSAR analysis of human intestinal absorption of drugs and drug-like compounds using a data set of 567 %HIA values…”
Get more information

Ionization-Specific QSAR Models of Blood-Brain Penetration of Drugs by Lanevskij, Kiril, Japertas, Pranas, Didziapetris, Remigijus, Petrauskas, Alanas

“…This study presents a mechanistic QSAR (quantitative structure–activity relationship) analysis of blood–brain barrier (BBB) penetration of drugs and drug‐like…”
Get full text

A rule based approach for prediction of the rabbit eye and skin irritation by Japertas, Pranas, Didziapetris, Remigijus, Sazonovas, Andrius

Get full text

Acute toxicity (LD50) prediction involving fragmental QSAR model, similarity analysis and reliability of predictions by Japertas, Pranas, Didziapetris, Remigijus, Sazonovas, Andrius

Get full text

In silico technology for identification of potentially toxic compounds in drug discovery by Japertas, Pranas, Didziapetris, Remigijus, Petrauskas, Alanas

Get full text

Cancer Incidence in the Workers Cohort of Textile Manufacturing Factory in Alytus, Lithuania by Kuzmickiene, Irena, Didziapetris, Remigijus, Stukonis, Mecys

“…Altogether 14,650 workers employed at least for 1 year a the textile factory in Alytus, Lithuania, were included in the cohort and followed during the period…”
Get full text

Trainable model of HERG channel inhibition prediction by Juska, Liutauras, Didziapetris, Remigijus, Japertas, Pranas

Get full text

Trainable QSAR model of Ames genotoxicity by Didziapetris, Remigijus, Lanevskij, Kiril, Japertas, Pranas

Get full text

Penicillin acylase-catalyzed protection and deprotection of amino groups as a promising approach in enzymatic peptide synthesis by Didžiapetris, Remigijus, Drabnig, Barbara, Schellenberger, Volker, Jakubke, Hans-Dieter, S̆vedas, Vytas

“…Penicillin acylase from E. coli is able to catalyze both the introduction and the removal of the phenylacetyl group. We have established that phenylacetyl…”
Get full text