Kategorija 2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023

Chromeno-pyrimidine-type compounds (part II): in vitro evaluation of antioxidant potential

2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (690-693)AUTOR(I) / AUTHOR(S): Edina Avdović, Dušica Simijonović, Žiko Milanović, Sandra Jovičić Milić, Sunčica Roca, Dražen Vikić-TopićE-ADRESA / E-MAIL: edina.avdovic@pmf.kg.ac.rsDownload Full Pdf  DOI: 10.46793 / ABSTRACT:The chromeno and pyrimidine classes compounds include…

DetaljnijeChromeno-pyrimidine-type compounds (part II): in vitro evaluation of antioxidant potential

Green synthesis of chromeno-pyrimidine derivatives – Part I

2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (686-689)AUTOR(I) / AUTHOR(S): Dušica Simijonović, Edina Avdović, Žiko Milanović, Dejan Milenković, Zoran MarkovićE-ADRESA / E-MAIL: dusicachem@kg.ac.rsDownload Full Pdf  DOI: 10.46793 / ABSTRACT:Two different chromeno-pyrimidine derivatives were synthetized in the ionic liquid catalyzed…

DetaljnijeGreen synthesis of chromeno-pyrimidine derivatives – Part I

Investigating the potential inhibitory effect of the megaphone (molecule) on nasopharyngeal cancer growth factor receptors

2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (682-685)AUTOR(I) / AUTHOR(S): Žiko Milanović, Marko Antonijević, Dušica Simijonović, Jelena Đorović Jovanović, Marijana Stanojević PirkovićE-ADRESA / E-MAIL: ziko.milanovic@uni.kg.ac.rsDownload Full Pdf  DOI: 10.46793 / ABSTRACT:Nasopharyngeal cancer (NPC) is a type of cancer…

DetaljnijeInvestigating the potential inhibitory effect of the megaphone (molecule) on nasopharyngeal cancer growth factor receptors

Workflow automation of high-throughput inverse docking using Pharmmapper

2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (678-681)AUTOR(I) / AUTHOR(S): Aleksa P. Alargić, Bojan D. Levovnik, Miloš M. SvirčevE-ADRESA / E-MAIL: milos.svircev@dh.uns.ac.rsDownload Full Pdf DOI: 10.46793 / ABSTRACT:In this paper, we present a novel, modular script Pharmmapper-Mass-Docker for the…

DetaljnijeWorkflow automation of high-throughput inverse docking using Pharmmapper

A comprehensive in silico protocol for fast automated mutagenesis and binding affinity scoring of protein-ligand complexes

2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (674-677)AUTOR(I) / AUTHOR(S): Sebastjan Kralj, Milan Hodošček, Marko Jukić, Urban BrenE-ADRESA / E-MAIL: sebastjan.kralj1@um.siDownload Full Pdf DOI: 10.46793 / ABSTRACT:Protein-protein interactions (PPI) are critical for cellular functions, host-pathogen dynamics and are crucial…

DetaljnijeA comprehensive in silico protocol for fast automated mutagenesis and binding affinity scoring of protein-ligand complexes

Identification of small molecule binding sites using CmDock

2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (670-673)AUTOR(I) / AUTHOR(S): Marko Jukić, Urban BrenE-ADRESA / E-MAIL: marko.jukic@um.siDownload Full Pdf  DOI: 10.46793 / ABSTRACT:Identification of binding sites for small molecules is critical in light of modern in silico and…

DetaljnijeIdentification of small molecule binding sites using CmDock

Interaction energy and decomposition of interaction energy of halo-substituted phthalimide with carbon nanotube

2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (666-669)AUTOR(I) / AUTHOR(S): Sonja S. Zrilić, Jelena M. Živković, Snežana D. ZarićE-ADRESA / E-MAIL: sonjaz@chem.bg.ac.rsDownload Full Pdf  DOI: 10.46793 / ABSTRACT:Interaction energy of phthalimide (ph) with carbon nanotube (CNT) calculated at SAPT0…

DetaljnijeInteraction energy and decomposition of interaction energy of halo-substituted phthalimide with carbon nanotube

Influence of phthalimide substitution on the interaction with carbon nanotube

2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (662-665)AUTOR(I) / AUTHOR(S): Sonja S. Zrilić, Jelena M. Živković, Snežana D. ZarićE-ADRESA / E-MAIL: sonjaz@chem.bg.ac.rsDownload Full Pdf  DOI: 10.46793 / ABSTRACT:The interaction energy of phthalimide and carbon nanotube calculated at SAPT0/6-31G*…

DetaljnijeInfluence of phthalimide substitution on the interaction with carbon nanotube

Analysis of prediction of water solubility and lipophilicity of coumarins by free cheminformatics tools

2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (657-661)AUTOR(I) / AUTHOR(S): Bešlo Drago, Agić Dejan, Rastija Vesna, Karnaš Maja, Šubarić Domagoj, Lučić BonoE-ADRESA / E-MAIL: dbeslo@fazos.hrDownload Full Pdf  DOI: 10.46793 / ABSTRACT:Pharmacokinetics of drugs involves the study of the…

DetaljnijeAnalysis of prediction of water solubility and lipophilicity of coumarins by free cheminformatics tools

Relativistic DFT calculation and their effect on the accuracy of results

2nd International Conference on Chemo and Bioinformatics ICCBIKG 2023 (653-656)AUTOR(I) / AUTHOR(S): Marko D. Radovanović, Ignjat Filipović, Maja Djukić, Marija Ristić, Matija Zlatar, Zoran D. MatovićE-ADRESA / E-MAIL: marko.radovanovic@pmf.kg.ac.rsDownload Full Pdf  DOI: 10.46793 / ABSTRACT:This study explores the significance of…

DetaljnijeRelativistic DFT calculation and their effect on the accuracy of results