A SINGLE- AND MULTIPARAMETRIC QSAR STUDY OF AMINOPEPTIDASE N
INHIBITORS

J 2016

A SINGLE- AND MULTIPARAMETRIC QSAR STUDY OF AMINOPEPTIDASE N INHIBITORS

FARSA, Oldřich a Matěj HALUSKA

Základní údaje

Originální název

A SINGLE- AND MULTIPARAMETRIC QSAR STUDY OF AMINOPEPTIDASE N INHIBITORS

Autoři

FARSA, Oldřich a Matěj HALUSKA

Vydání

FARMACIA, BUCURESTI, SOC STIINTE FARMACEUTICE ROMANIA, 2016, 0014-8237

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

30107 Medicinal chemistry

Stát vydavatele

Rumunsko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

Plný text v časopisu Farmacia

Impakt faktor

Impact factor: 1.348

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14160/16:00120953

Organizační jednotka

Farmaceutická fakulta

UT WoS

000374432800021

Klíčová slova anglicky

aminopeptidase N (APN/CD13); inhibition; Quantitative Structure-Activity Relationships (QSAR); linear and multilinear regression; single- and multi-parametric models

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 10. 8. 2021 09:23, doc. PharmDr. Oldřich Farsa, Ph.D.

Anotace

V originále

A collection of 52 compounds with inhibitory activities, expressed as the inhibition constant against aminopeptidase N (APN) was assembled from diverse literature resources. The relationships between activities and physicochemical parameters derived from the structures were then searched using linear or multilinear regression analysis. Regression models of 1st and 2nd orders were used for this purpose. Three single-parametric model of dependence of log K-i on the partition coefficient logarithm (log P), dipole moment (p) and molecular surface area (MSA) respectively were significant. Two bi-parametric models containing log P and p or MSA respectively reached higher significance. The only tri-parametric model containing all the three above parameters was shown to be the best. This model is useful for activities predictions of compounds proposed for synthesis as potential APN inhibitors.

Citovat

FARSA, Oldřich a Matěj HALUSKA. A SINGLE- AND MULTIPARAMETRIC QSAR STUDY OF AMINOPEPTIDASE N INHIBITORS. FARMACIA. BUCURESTI: SOC STIINTE FARMACEUTICE ROMANIA, 2016, roč. 64, č. 2, s. 283-290. ISSN 0014-8237.

@article{1727019,
   author = {Farsa, Oldřich and Haluska, Matěj},
   article_location = {BUCURESTI},
   article_number = {2},
   keywords = {aminopeptidase N (APN/CD13); inhibition; Quantitative Structure-Activity Relationships (QSAR); linear and multilinear regression; single- and multi-parametric models},
   language = {eng},
   issn = {0014-8237},
   journal = {FARMACIA},
   title = {A SINGLE- AND MULTIPARAMETRIC QSAR STUDY OF AMINOPEPTIDASE N INHIBITORS},
   url = {https://farmaciajournal.com/wp-content/uploads/2016-02-art-21-Farsa_Haluska_283-290.pdf},
   volume = {64},
   year = {2016}
}

TY  - JOUR
ID  - 1727019
AU  - Farsa, Oldřich - Haluska, Matěj
PY  - 2016
TI  - A SINGLE- AND MULTIPARAMETRIC QSAR STUDY OF AMINOPEPTIDASE N INHIBITORS
JF  - FARMACIA
VL  - 64
IS  - 2
SP  - 283-290
EP  - 283-290
PB  - SOC STIINTE FARMACEUTICE ROMANIA
SN  - 00148237
KW  - aminopeptidase N (APN/CD13)
KW  - inhibition
KW  - Quantitative Structure-Activity Relationships (QSAR)
KW  - linear and multilinear regression
KW  - single- and multi-parametric models
UR  - https://farmaciajournal.com/wp-content/uploads/2016-02-art-21-Farsa_Haluska_283-290.pdf
N2  - A collection of 52 compounds with inhibitory activities, expressed as the inhibition constant against aminopeptidase N (APN) was assembled from diverse literature resources. The relationships between activities and physicochemical parameters derived from the structures were then searched using linear or multilinear regression analysis. Regression models of 1st and 2nd orders were used for this purpose. Three single-parametric model of dependence of log K-i on the partition coefficient logarithm (log P), dipole moment (p) and molecular surface area (MSA) respectively were significant. Two bi-parametric models containing log P and p or MSA respectively reached higher significance. The only tri-parametric model containing all the three above parameters was shown to be the best. This model is useful for activities predictions of compounds proposed for synthesis as potential APN inhibitors.
ER  -

FARSA, Oldřich a Matěj HALUSKA. A SINGLE- AND MULTIPARAMETRIC QSAR STUDY OF AMINOPEPTIDASE N INHIBITORS. \textit{FARMACIA}. BUCURESTI: SOC STIINTE FARMACEUTICE ROMANIA, 2016, roč.~64, č.~2, s.~283-290. ISSN~0014-8237.

Přehled o publikaci