Št. zadetkov: 17
Doktorska disertacija
Oznake:
odkrivanje učinkovin;načrtovanje učinkovin na osnovi fragmentov;knjižnice fragmentov;vrednotenje zadetkov;reaktivnost;redoks aktivnost;
Odkrivanje novih učinkovin je zapleten in dolgotrajen proces, ki je skozi zgodovino doživel pomemben napredek. Razvil se je od naključnih odkritij, pogosto iz naravnih proizvodov, do sodobnih pristopov, ki so bolj sistematični in temeljijo na rešetanjih kemijskih knjižnic ali racionalnem načrtovanju ...
Leto:
2023
Vir:
Fakulteta za farmacijo (UL FFA)
Magistrsko delo
Oznake:
sintezni postopki;virtualno repetanje;indolamin 2,3-dioksigenaza;zaviralci IDO1;metode;
Sinteza in vrednotenje novih zaviralcev iondolamin 2,3-dioksigenaze 1, odkritih s pomočjo virtualnega rešetanja na osnovi struktur liganda in encima
Leto:
2018
Vir:
Fakulteta za farmacijo (UL FFA)
Magistrsko delo
Oznake:
knjižnica spojin;topnost;logP;HPLC;visoka zmogljivost;
Problem lažno pozitivnih zadetkov in zadetkov z neugodnimi lastnostmi za razvoj do spojin vodnic, ki jih dobimo pri rešetanju visoke zmogljivosti, lahko omejimo z dobro pripravo knjižnic spojin. Kemijske knjižnice spojin lahko sestavlja več milijonov spojin, ki imajo želene lastnosti za nadaljnje te ...
Leto:
2020
Vir:
Fakulteta za farmacijo (UL FFA)
Magistrsko delo
Oznake:
butirilholinesteraza;z mitogenom aktivirane protein kinaze p38α;Alzheimerjeva bolezen;računalniško načrtovanje;virtualno rešetanje;
Pri magistrski nalogi smo računalniško načrtovali dualne zaviralce butirilholinesteraze in z mitogenom aktivirane protein kinaze p38α za zdravljenje Alzheimerjeve bolezni. Ta bolezen je pereč problem v razvitih državah, kjer se daljša življenjska doba. Trenutno zdravljenje poteka z zaviralci acetilh ...
Leto:
2022
Vir:
Fakulteta za farmacijo (UL FFA)
Pregledni znanstveni članek
Oznake:
edox;covalent;screening;hits;PAINS;assays;
Compounds that exhibit assay interference or undesirable mechanisms of bioactivity are routinely encountered in assays at various stages of drug discovery. We observed that assays for the investigation of thiol-reactive and redox-active compounds have not been collected in a comprehensive review. He ...
Leto:
2022
Vir:
Fakulteta za farmacijo (UL FFA)
Izvirni znanstveni članek
Oznake:
antibacterial agents;DNA-encoded library;screening;inhibitors;
Screening of DNA-encoded libraries is an emerging technology for discovering hits against protein targets. With the recent launch of the DELopen platform, a facile screening of 4.4 billion compounds is available to accelerate the drug discovery process. Here we report an affinity-based screening of ...
Leto:
2022
Vir:
Fakulteta za farmacijo (UL FFA)
Izvirni znanstveni članek
Oznake:
označevanje;monomeri;dušikove spojine;peptidi;proteini;reaktivnost;labeling;monomers;nitrogen compounds;peptides;reactivity;proteins;
The binucleophilic properties of 1,2-aminothiol and its rare occurrence in nature make it a useful reporter for tracking molecules in living systems. The 1,2-aminothiol moiety is present in cysteine, which is a substrate for a biocompatible click reaction with heteroaromatic nitriles. Despite the wi ...
Leto:
2023
Vir:
Fakulteta za farmacijo (UL FFA)
Izvirni znanstveni članek
Oznake:
fragment-based drug discovery;hit triage;inhibitors;antibacterial agents;
Bacterial resistance is an increasing threat to healthcare systems, highlighting the need for discovering new antibacterial agents. An established technique, fragment-based drug discovery, was used to target a bacterial enzyme Ddl involved in the biosynthesis of peptidoglycan. We assembled general a ...
Leto:
2023
Vir:
Fakulteta za farmacijo (UL FFA)
Izvirni znanstveni članek
Oznake:
viscosity;protein formulations;biopharmaceuticals;viscosity-reducing agents;computational screening;
For the development of concentrated monoclonal antibody formulations for subcutaneous administration, the main challenge is the high viscosity of the solutions. To compensate for this, viscosity reducing agents are commonly used as excipients. Here, we applied two computational chemistry approaches ...
Leto:
2022
Vir:
Fakulteta za farmacijo (UL FFA)
Izvirni znanstveni članek
Oznake:
thiazoles;hit profiling;promiscuous compounds;frequent hitters;privileged scaffolds;fragments;
Thiazoles exhibit a wide range of biological activities and therefore represent useful and attractive building blocks. To evaluate their usefulness and pinpoint their liabilities in fragment screening campaigns, we assembled a focused library of 49 fragment-sized thiazoles and thiadiazoles with vari ...
Leto:
2022
Vir:
Fakulteta za farmacijo (UL FFA)