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The gene regulation knowledge commons: the action area of GREEKC
(Biochimica et Biophysica Acta (BBA) - Gene Regulatory Mechanisms, 2022)
As computational modeling becomes more essential to analyze and understand biological regulatory mechanisms, governance of the many databases and knowledge bases that support this domain is crucial to guarantee reliability ...
In Silico Investigation of Selected Pesticides and Their Determination in Agricultural Products Using QuEChERS Methodology and HPLC-DAD
(International Journal of Molecular Sciences, 2023)
In this study, we considered some pesticides as active substances within formulations for the protection of plant-based food in the Republic of Serbia in silico, because these pesticides have not often been investigated ...
In Silico and In Vitro Inhibition of SARS-CoV-2 PLpro with Gramicidin D
(International Journal of Molecular Sciences, 2023)
Finding an effective drug to prevent or treat COVID-19 is of utmost importance in tcurrentpandemic. Since developing a new treatment takes a significant amount of time, drug repurposingcan be an effective option for achieving ...
Annotation Of The Functional Impact Of Coding Genetic Variants
(Biologica Serbica, 2017)
Summary. Coding genetic variants can have profound effects on protein function. Computational tools for the prediction of these effects are used to complement and guide experimental biological studies. Phylogenetic analyses ...
Combined in silico and experimental approach to identify the peptide mimetic of the nanobody that stabilize functional conformational state of the beta2 adrenergic receptor (β2AR)
(Department of Biology and Ecology : Faculty of Sciences University of Novi Sad, 2018)
Stabilization of specific G-protein coupled receptor (GPCR) conformation is achieved by ligand binding to orthosteric or allosteric sites on a GPCRs. A crucial unresolved issue in GPCRs activation/signaling is the role of ...
Can We Use Standard Tools to Predict Functional Effects of Missense Gene Variations Outside Conserved Domains? TET2 Example
(2nd International Conference “Theoretical Approaches to Bioinformation Systems” (TABIS.2013), September 17-22, 2013, Belgrade, Serbia, 2014)
The most common genetic variations in humans are Single Nucleotide Polymorphisms (SNPs), so predicting their associations with cancers is a significant issue. Here, we were particularly interested in SNPs occurring outside ...
New age for alignment-free methods for sequence analyses
(Department of Biology and Ecology : Faculty of Sciences University of Novi Sad, 2021)
Progress in a wide range of fields ranging from population genetics to precision medicine may be attributed to availability of big biological data. Alignment-free sequence comparison is the methodology of choice in ...
Simple criterion for selection of flavonoid compounds with anti-HIV activity
(Bioorganic and Medicinal Chemistry Letters, 2007)
Flavonoid compounds represent an important natural source of antiretrovirals for AIDS therapy due to their significant anti-HIV-1 activity and low toxicity. Here we propose a simple theoretical criterion to discriminate ...
Computational Studies on Selected Macrolides Active against Escherichia coli Combined with the NMR Study of Tylosin A in Deuterated Chloroform
(Molecules, 2022)
Although many antibiotics are active against Gram-positive bacteria, fewer also show activity against Gram-negative bacteria. Here, we present a combination of in silico (electron ion-interaction potential, molecular ...
A combined ligand- and structure-based approach for the identification of rilmenidine-derived compounds which synergize the antitumor effects of doxorubicin
(Bioorganic and Medicinal Chemistry, 2016)
The clonidine-like central antihypertensive agent rilmenidine, which has high affinity for I-1-type imidazoline receptors (I-1-IR) was recently found to have cytotoxic effects on cultured cancer cell lines. However, due ...