Št. zadetkov: 12
Samostojni znanstveni sestavek ali poglavje v monografski publikaciji
Oznake:
biokemija;DNA;toksičnost;tuberkoloza;farmacija;
Integrated in silico methods for the design and optimization of novel drug candidates
Leto:
2015
Vir:
Kemijski inštitut (KI)
Izvirni znanstveni članek
Oznake:
biokemija;bakterije;topoizomeraze tipa I;zdravila;DNK;molekularna dinamika;E.coli;
Bacterial type II topoisomerases are well-characterized and clinically important targets for antibacterial chemotherapy. Novel bacterial topoisomerase inhibitors (NBTIs) are a newly disclosed class of antibacterials. Prediction of their binding affinity to these enzymes would be beneficial for de no ...
Leto:
2024
Vir:
Fakulteta za farmacijo (UL FFA)
Izvirni znanstveni članek
Oznake:
QSAR;modeling;ranking;method comparison;neural networks;prediction of antituberculosis activity;
CP-ANN technique was used to build 54 different QSAR models. The models were built for three sets (assays) of fluoroquinolones considering their antituberculosis activity and using different technical parameters (dimension of network and number of learning epochs). The models served as a reliable ba ...
Leto:
2010
Vir:
dLib.si Digitalna knjižnica Slovenije
Izvirni znanstveni članek
Oznake:
zaviralci DNA giraze;topoizomeraza tip II;DNA gyrase inhibitors;antibacterials;novel bacterial topoisomerase inhibitors;intercalators;
The emergence of bacterial resistance against life-saving medicines has forced the scientific community and pharmaceutical industry to take actions in the quest for novel antibacterials. These should not only overcome the existing bacterial resistance, but also provide at least interim effective pro ...
Leto:
2020
Vir:
Fakulteta za farmacijo (UL FFA)
Doktorska disertacija
Oznake:
Bakterijske topoizomeraze tipa II;DNA giraza;topoizomeraza IV;NBTI;protibakterijsko delovanje;hERG;multidimenzionalni QSAR;in vivo učinkovitost;razcepljene haloge vezi;
Bakterijske topoizomeraze tipa II, med katere sodita DNA-giraza in njena paralogna oblika topoizomeraza IV (topoIV), so potrjene in dobro proučene tarče v protibakterijski kemoterapiji. V okviru doktorske disertacije smo se osredotočili na strukturno optimizacijo zaviralcev bakterijskih topoizomeraz ...
Leto:
2024
Vir:
Fakulteta za farmacijo (UL FFA)
Doktorska disertacija
Oznake:
DNA topoizomeraze so družina encimov, ki delujejo kot molekulski motorji in omogočajo topološke spremembe v molekuli DNA ter s tem mnoge procese v celici. V naših raziskavah smo se osredotočili na človeško DNA topoizomerazo II[alfa], ki je validirana in uveljavljena protirakava tarča, saj je njena k ...
Leto:
2021
Vir:
Fakulteta za farmacijo (UL FFA)
Doktorska disertacija
Oznake:
encimi DNA topoizomeraze;zaviralci bakterijske giraze;kemokinski receptorji;alosteričen učinek;sinteza CXCR3;sinteza CXCR4;
V sklopu doktorske disertacije smo preučevali dve biološki tarči, DNA girazo in kemokinske receptorje CXCR3 in CXCR4, ki ju povezuje uporaba in silico pristopov pri načrtovanju zaviralcev bakterijske DNA giraze ter modulatorjev kemokinskih receptorjev CXCR3 in CXCR4. Pri preučevanju bakterijske DNA ...
Leto:
2020
Vir:
Fakulteta za farmacijo (UL FFA)
Izvirni znanstveni članek
Oznake:
NBTIs;DNA gyrase;topoisomerase IV;bifurcated halogen bonds;dual targeting;
We designed and synthesized an optimized library of novel bacterial topoisomerase inhibitors with p-halogenated phenyl right-hand side fragments and significantly enhanced and balanced dual-targeted DNA gyrase and topoisomerase IV activities of Staphylococcus aureus and Escherichia coli. By increasi ...
Leto:
2021
Vir:
Fakulteta za farmacijo (UL FFA)
Izvirni znanstveni članek
Oznake:
DNA gyrase;topoisomerase IV;antibacterial;NBTIs;halogen-bonding interactions;hydrogen-bonding interactions;van der Waals interactions;
Novel bacterial topoisomerase inhibitors (NBTIs) are a new class of antibacterial agents that target bacterial type II topoisomerases (DNA gyrase and topoisomerase IV). Our recently disclosed crystal structure of an NBTI ligand in complex with DNA gyrase and DNA revealed that the halogen atom in the ...
Leto:
2023
Vir:
Fakulteta za farmacijo (UL FFA)
Izvirni znanstveni članek
Oznake:
DNA giraza;topoizomeraza IV;antibakterijska zdravila;inhibicija;učinkovitost in vivo;NBTIs;DNA gyrase;Topoisomerase IV;antibacterials;MRSA;hERG inhibition;in vivo efficacy;
Novel bacterial topoisomerase inhibitors (NBTIs) are new promising antimicrobials for the treatment of multidrug-resistant bacterial infections. In recent years, many new NBTIs have been discovered, however most of them struggle with the same issue - the balance between antibacterial activity and hE ...
Leto:
2023
Vir:
Fakulteta za farmacijo (UL FFA)