Pretražite po imenu i prezimenu autora, mentora, urednika, prevoditelja

Napredna pretraga

Pregled bibliografske jedinice broj: 1080877

Structure characterisation of bioactive compounds and their interactions


Jednačak, Tomislav
Structure characterisation of bioactive compounds and their interactions // Book of abstracts / Bregović, Nikola ; Namjesnik, Danijel ; Novak, Predrag ; Parlov Vuković, Jelena (ur.).
Zagreb: Department of Chemistry, Faculty of Science, University of Zagreb, Croatia, 2020. str. 15-15 (pozvano predavanje, nije recenziran, sažetak, ostalo)


CROSBI ID: 1080877 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Structure characterisation of bioactive compounds and their interactions

Autori
Jednačak, Tomislav

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, ostalo

Izvornik
Book of abstracts / Bregović, Nikola ; Namjesnik, Danijel ; Novak, Predrag ; Parlov Vuković, Jelena - Zagreb : Department of Chemistry, Faculty of Science, University of Zagreb, Croatia, 2020, 15-15

ISBN
978-953-6076-58-1

Skup
Adriatic NMR conference

Mjesto i datum
Peroj, Hrvatska, 22.-24.09.2020

Vrsta sudjelovanja
Pozvano predavanje

Vrsta recenzije
Nije recenziran

Ključne riječi
biomolecular interactions ; structure characterisation ; NMR spectroscopy ; ligands ; macromolecular receptors ; synthesis

Sažetak
Biomolecular interactions play essential roles in all cellular processes, such as protein synthesis, gene regulation, molecular organisation and recognition events. Determining the three-dimensional structure of ligands, their receptors and complexes is crucial for understanding molecular mechanisms and dynamics involved in these interactions. The first step to achieve this goal is the synthesis of small molecules, which can act as ligands for biomolecular receptors and thus regulate their function. In order to obtain bioactive ligands with the desired physico- chemical properties and to optimize product yields, the syntheses can be monitored in real time by employing in-line techniques. Further analysis of complex reaction mixtures is carried out on-line using a hyphenated system which combines HPLC and SPE with cryo-NMR detection (HPLC-SPE/cryo-NMR). This methodology is applied to monitor the reaction progress, explain the side-reaction mechanisms and unambiguously characterize the reaction components. In the next stage, binding of the prepared ligands to their biological targets is studied by a combined use of cryo-electron microscopy, X-ray diffraction and NMR techniques based on saturation transfer difference (STD), paramagnetic relaxation enhancements (PREs), transferred nuclear Overhauser effect (trNOESY), translational diffusion (DOSY) and chemical shift perturbations (CSP). The results obtained for free and bound ligands can provide valuable data on the groups responsible for binding, ligand conformation, orientation, immersion depth, binding modes and epitopes. Structural information is further complemented with biochemical assays and molecular dynamics simulations to assess the structure-activity relationships and design the compounds with enhanced biological properties.

Izvorni jezik
Engleski



POVEZANOST RADA


Projekti:
EMBO STF 8451
HRZZ-IP-2018-01-8098 - Makrozoni, novi konjugati makrolidnih antibiotika: Dizajn, priprava i interakcije (Makrozoni/Macrozones) (Novak, Predrag, HRZZ - 2018-01) ( POIROT)

Ustanove:
Prirodoslovno-matematički fakultet, Zagreb

Profili:

Avatar Url Tomislav Jednačak (autor)

Citiraj ovu publikaciju:

Jednačak, Tomislav
Structure characterisation of bioactive compounds and their interactions // Book of abstracts / Bregović, Nikola ; Namjesnik, Danijel ; Novak, Predrag ; Parlov Vuković, Jelena (ur.).
Zagreb: Department of Chemistry, Faculty of Science, University of Zagreb, Croatia, 2020. str. 15-15 (pozvano predavanje, nije recenziran, sažetak, ostalo)
Jednačak, T. (2020) Structure characterisation of bioactive compounds and their interactions. U: Bregović, N., Namjesnik, D., Novak, P. & Parlov Vuković, J. (ur.)Book of abstracts.
@article{article, author = {Jedna\v{c}ak, T.}, year = {2020}, pages = {15-15}, keywords = {biomolecular interactions, structure characterisation, NMR spectroscopy, ligands, macromolecular receptors, synthesis}, isbn = {978-953-6076-58-1}, title = {Structure characterisation of bioactive compounds and their interactions}, keyword = {biomolecular interactions, structure characterisation, NMR spectroscopy, ligands, macromolecular receptors, synthesis}, publisher = {Department of Chemistry, Faculty of Science, University of Zagreb, Croatia}, publisherplace = {Peroj, Hrvatska} }
@article{article, author = {Jedna\v{c}ak, T.}, year = {2020}, pages = {15-15}, keywords = {biomolecular interactions, structure characterisation, NMR spectroscopy, ligands, macromolecular receptors, synthesis}, isbn = {978-953-6076-58-1}, title = {Structure characterisation of bioactive compounds and their interactions}, keyword = {biomolecular interactions, structure characterisation, NMR spectroscopy, ligands, macromolecular receptors, synthesis}, publisher = {Department of Chemistry, Faculty of Science, University of Zagreb, Croatia}, publisherplace = {Peroj, Hrvatska} }




Contrast
Increase Font
Decrease Font
Dyslexic Font