Digital repository of Slovenian research organisations

Show document
A+ | A- | Help | SLO | ENG

Title:Od kompleksnih zmesi do bioaktivnih molekul : napredne strategije za odkrivanje bioaktivnih spojin naravnega izvora
Authors:ID Čuš, Tilen (Author)
ID Kočevar Glavač, Nina (Author)
Files:.pdf PDF - Presentation file, download (571,69 KB)
MD5: 7359722953F78003489F54370A566427
 
Language:Slovenian
Typology:1.02 - Review Article
Organization:Logo SFD - Slovenian Pharmaceutical Society
Abstract:Spojine naravnega izvora ostajajo pomemben vir novih zdravilnih učinkovin, a njihovo odkrivanje ovirajo delovno intenzivni postopki izolacije, ponovna izolacija že znanih spojin in njihova zahtevna strukturna identifikacija. Zaradi tega so se razvili številni novi sodobni pristopi, ki temeljijo na integraciji računalniških metod in analitskih podatkov. Pomembno vlogo ima jedrska magnetna resonanca, ki v kombinaciji z umetno inteligenco in drugimi računalniškimi metodami omogoča napovedovanje strukture spojin tudi v kompleksnih zmeseh. Ključna sta tudi napredek v masni spektrometriji ter pojav molekulskega mreženja. Slednje omogoča učinkovito obdelavo, upodobitev velike količine podatkov masne spektrometrije ter hitro prepoznavanje strukturnega razreda spojin. Dodatno ga podpirajo še nove metode za proučevanje fragmentacije spojin, ki omogočajo napovedovanje strukture spojin iz njihovih masnih spektrov. Novi pristopi tako bolje izkoristijo obilico dobljenih podatkov in omogočajo hitrejšo, usmerjeno in natančnejšo identifikacijo, dereplikacijo in izolacijo bioaktivnih spojin v naravnih izvlečkih.
Keywords:dereplikacija, masna spektrometrija, molekulsko mreženje, spojine naravnega izvora
Publication status:Published
Publication version:Version of Record
Publication date:01.12.2025
Year of publishing:2025
Number of pages:str. 340-346
Numbering:Letn. 76, št. 5
PID:20.500.12556/DiRROS-27584 New window
UDC:543.51
ISSN on article:2536-4316
COBISS.SI-ID:266071811 New window
Note:Nasl. z nasl. zaslona; Besedilo v slov.; Opis vira z dne 26. 1. 2026;
Publication date in DiRROS:13.02.2026
Views:344
Downloads:35
Metadata:XML DC-XML DC-RDF
:
Copy citation
  
Share:Bookmark and Share


Hover the mouse pointer over a document title to show the abstract or click on the title to get all document metadata.

Record is a part of a journal

Title:Farmacevtski vestnik : strokovno glasilo slovenske farmacije
Publisher:Slovensko farmacevtsko društvo
ISSN:2536-4316
COBISS.SI-ID:288686336 New window

Licences

License:CC BY-NC 4.0, Creative Commons Attribution-NonCommercial 4.0 International
Link:http://creativecommons.org/licenses/by-nc/4.0/
Description:A creative commons license that bans commercial use, but the users don’t have to license their derivative works on the same terms.

Secondary language

Language:English
Title:From complex mixtures to bioactive molecules : advanced strategies for the discovery of bioactive natural compounds
Abstract:Natural products remain an important source of new drug candidates, but their discovery is often hindered by time-consuming procedures, repeated isolation of known compounds, and their challenging structural identification. As a result, numerous modern approaches have been developed that integrate computational methods with analytical data. Nuclear magnetic resonance combined with artificial intelligence and other computational tools enables the structural prediction of compounds even in complex mixtures. Significant progress in mass spectrometry and the introduction of molecular networking has further advanced the field. The latter allows efficient processing and visualization of large volumes of mass spectrometry data and facilitates the rapid structural elucidation of compounds in complex mixtures. These methods are further supported by new tools for studying compound fragmentation, which enable structural prediction directly from mass spectra. Together, these modern approaches make better use of available data and significantly accelerate the targeted and accurate identification, dereplication, and isolation of bioactive compounds from natural extracts.
Keywords:dereplication, mass spectrometry, molecular networking, natural products


Collection

This document is a part of these collections:
  1. Farmacevtski vestnik

Back