A SINGLE- AND MULTIPARAMETRIC QSAR STUDY OF AMINOPEPTIDASE N INHIBITORS

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F62157124%3A16370%2F16%3A43874581" target="_blank" >RIV/62157124:16370/16:43874581 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216224:14160/16:00120953

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

A SINGLE- AND MULTIPARAMETRIC QSAR STUDY OF AMINOPEPTIDASE N INHIBITORS

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

A SINGLE- AND MULTIPARAMETRIC QSAR STUDY OF AMINOPEPTIDASE N INHIBITORS

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

FR - Farmakologie a lékárnická chemie

OECD FORD obor

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Projekt

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Návaznosti

V - Vyzkumna aktivita podporovana z jinych verejnych zdroju

Rok uplatnění

2016

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Farmacia

ISSN

0014-8237

e-ISSN

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Svazek periodika

64

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

RO - Rumunsko

Počet stran výsledku

8

Strana od-do

283-290

Kód UT WoS článku

000374432800021

EID výsledku v databázi Scopus

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