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Article ; Online: In Silico Screening of Natural Compounds for Candidates 5HT6 Receptor Antagonists against Alzheimer's Disease.

Bojić, Tijana / Sencanski, Milan / Perovic, Vladimir / Milicevic, Jelena / Glisic, Sanja

2022 Volume 27, Issue 9

Abstract: Alzheimer's disease (AD), a devastating neurodegenerative disease, is the focus of pharmacological research. One of the targets that attract the most attention for the potential therapy of AD is the serotonin 5HT6 receptor, which is the receptor situated ...

Abstract	Alzheimer's disease (AD), a devastating neurodegenerative disease, is the focus of pharmacological research. One of the targets that attract the most attention for the potential therapy of AD is the serotonin 5HT6 receptor, which is the receptor situated exclusively in CNS on glutamatergic and GABAergic neurons. The neurochemical impact of this receptor supports the hypothesis about its role in cognitive, learning, and memory systems, which are of critical importance for AD. Natural products are a promising source of novel bioactive compounds with potential therapeutic potential as a 5HT6 receptor antagonist in the treatment of AD dementia. The ZINC-natural product database was in silico screened in order to find the candidate antagonists of 5-HT6 receptor against AD. A virtual screening protocol that includes both short-and long-range interactions between interacting molecules was employed. First, the EIIP/AQVN filter was applied for in silico screening of the ZINC database followed by 3D QSAR and molecular docking. Ten best candidate compounds were selected from the ZINC Natural Product database as potential 5HT6 Receptor antagonists and were proposed for further evaluation. The best candidate was evaluated by molecular dynamics simulations and free energy calculations.
MeSH term(s)	Alzheimer Disease/drug therapy ; Biological Products/chemistry ; Biological Products/pharmacology ; Biological Products/therapeutic use ; Humans ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Neurodegenerative Diseases ; Receptors, Serotonin ; Zinc/therapeutic use
Chemical Substances	Biological Products ; Receptors, Serotonin ; serotonin 6 receptor ; Zinc (J41CSQ7QDS)
Language	English
Publishing date	2022-04-19
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	1413402-0
ISSN	1420-3049 ; 1431-5165 ; 1420-3049
ISSN (online)	1420-3049
ISSN	1431-5165 ; 1420-3049
DOI	10.3390/molecules27092626
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Article ; Online: Recent Advances in Electrochemical Determination of Pesticides.

Momčilović, Milan Z / Milićević, Jelena S / Ranđelović, Marjan S

Journal of nanoscience and nanotechnology

2021 Volume 21, Issue 12, Page(s) 5795–5811

Abstract: Widespread usage of pesticides in agricultural practice caused their residues to appear in water and food products intended for human consumption. The potential toxicity of these resources has raised awareness about pesticide tracking in the environment. ...

Abstract	Widespread usage of pesticides in agricultural practice caused their residues to appear in water and food products intended for human consumption. The potential toxicity of these resources has raised awareness about pesticide tracking in the environment. Development of reliable electrochemical sensors for the on-site determination of pesticide concentrations is envisioned as an alternative to conventional chromatographic methods which are robust, expensive and require skilled work force. Modification of the working electrode surface can result in enhanced electrochemical response towards selected pesticide making such electrode convenient sensor for facile and efficient determination of pesticides in low concentrations. New generation of nanomaterials is applied in electrode modification in order to improve its sensitivity and selectivity. The present review summarizes significant advances in voltammetric detection of pesticides for the period of the past five years. The major focus of this review is set to the types of carbon and oxide based materials, metal nanoparticles, composites and other materials employed to upgrade standard electrode configurations such as glassy carbon and carbon paste electrodes, boron doped diamond electrodes, screen printed and film electrodes, metal and amalgam, and other kinds of electrodes.
MeSH term(s)	Boron ; Carbon ; Diamond ; Electrochemical Techniques ; Electrodes ; Humans ; Pesticides/analysis
Chemical Substances	Pesticides ; Carbon (7440-44-0) ; Diamond (7782-40-3) ; Boron (N9E3X5056Q)
Language	English
Publishing date	2021-03-20
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Review
ISSN	1533-4899
ISSN (online)	1533-4899
DOI	10.1166/jnn.2021.19541
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Article ; Online: In Silico and In Vitro Inhibition of SARS-CoV-2 PL

Protić, Sara / Kaličanin, Nevena / Sencanski, Milan / Prodanović, Olivera / Milicevic, Jelena / Perovic, Vladimir / Paessler, Slobodan / Prodanović, Radivoje / Glisic, Sanja

International journal of molecular sciences

2023 Volume 24, Issue 3

Abstract: Finding an effective drug to prevent or treat COVID-19 is of utmost importance in tcurrent pandemic. Since developing a new treatment takes a significant amount of time, drug repurposing can be an effective option for achieving a rapid response. This ... ...

Abstract	Finding an effective drug to prevent or treat COVID-19 is of utmost importance in tcurrent pandemic. Since developing a new treatment takes a significant amount of time, drug repurposing can be an effective option for achieving a rapid response. This study used a combined in silico virtual screening protocol for candidate SARS-CoV-2 PL
MeSH term(s)	Humans ; SARS-CoV-2 ; Gramicidin ; COVID-19 ; Molecular Docking Simulation ; Databases, Factual ; Protease Inhibitors/pharmacology ; Antiviral Agents/pharmacology
Chemical Substances	Gramicidin (1405-97-6) ; Protease Inhibitors ; Antiviral Agents
Language	English
Publishing date	2023-01-19
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2019364-6
ISSN	1422-0067 ; 1422-0067 ; 1661-6596
ISSN (online)	1422-0067
ISSN	1422-0067 ; 1661-6596
DOI	10.3390/ijms24031955
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Article ; Online: Inhibition of SARS-CoV-2 M

Đukić, Ivana / Kaličanin, Nevena / Sencanski, Milan / Pajovic, Snezana B / Milicevic, Jelena / Prljic, Jelena / Paessler, Slobodan / Prodanović, Radivoje / Glisic, Sanja

Frontiers in bioscience (Landmark edition)

2023 Volume 28, Issue 1, Page(s) 8

Abstract: Background: Drug resistance is a critical problem in health care that affects therapy outcomes and requires new approaches to drug design. SARS-CoV-2 Mpro mutations are of concern as they can potentially reduce therapeutic efficacy. Viral infections are ...

Abstract	Background: Drug resistance is a critical problem in health care that affects therapy outcomes and requires new approaches to drug design. SARS-CoV-2 Mpro mutations are of concern as they can potentially reduce therapeutic efficacy. Viral infections are amongst the many disorders for which nutraceuticals have been employed as an adjunct therapy. The aim of this study was to examine the potential Methods: The Mpro inhibition assay was developed by cloning, expression, purification, and characterization of Mpro. Selected compounds were then screened for protease inhibition. Results: L-arginine was found to be active against SARS-CoV-2 Mpro, while a vitamin C/L-arginine combination had a synergistic antiviral action against Mpro. These findings confirm the results of our previous Conclusions: The findings of the current study are important because they help to identify COVID-19 treatments that are efficient, inexpensive, and have a favorable safety profile. The results of this study also suggest a possible adjuvant nutritional strategy for COVID-19 that could be used in conjunction with pharmacological agents.
MeSH term(s)	Humans ; Arginine/pharmacology ; Ascorbic Acid/pharmacology ; COVID-19 ; Dietary Supplements ; SARS-CoV-2/drug effects ; Coronavirus 3C Proteases/antagonists & inhibitors
Chemical Substances	Arginine (94ZLA3W45F) ; Ascorbic Acid (PQ6CK8PD0R) ; 3C-like proteinase, SARS-CoV-2 (EC 3.4.22.-) ; Coronavirus 3C Proteases (EC 3.4.22.28)
Language	English
Publishing date	2023-01-31
Publishing country	Singapore
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2704569-9
ISSN	2768-6698 ; 2768-6698
ISSN (online)	2768-6698
ISSN	2768-6698
DOI	10.31083/j.fbl2801008
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Article ; Online: In Silico Investigation of Selected Pesticides and Their Determination in Agricultural Products Using QuEChERS Methodology and HPLC-DAD.

Petrović, Stefan / Arsić, Biljana / Zlatanović, Ivana / Milićević, Jelena / Glišić, Sanja / Mitić, Milan / Đurović-Pejčev, Rada / Stojanović, Gordana

International journal of molecular sciences

2023 Volume 24, Issue 9

Abstract: 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 this way previously, and in an ... ...

Abstract	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 this way previously, and in an analytical way, because there are not very many available fast, cheap, and easy methods for their determination in real agricultural samples. Seven pesticides were detected in selected agricultural products (tomatoes, cucumbers, peppers, and grapes) using the QuEChERS methodology and HPLC-DAD. Standard curves for the investigated pesticides (chlorantraniliprole, methomyl, metalaxyl, thiacloprid, acetamiprid, emamectin benzoate, and cymoxanil) show good linearity, with R
MeSH term(s)	Humans ; Pesticides/chemistry ; Chromatography, High Pressure Liquid/methods ; Molecular Docking Simulation ; ortho-Aminobenzoates ; Pesticide Residues/analysis
Chemical Substances	Pesticides ; chlorantranilipole (622AK9DH9G) ; ortho-Aminobenzoates ; Pesticide Residues
Language	English
Publishing date	2023-04-28
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2019364-6
ISSN	1422-0067 ; 1422-0067 ; 1661-6596
ISSN (online)	1422-0067
ISSN	1422-0067 ; 1661-6596
DOI	10.3390/ijms24098003
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Article: Evaluation of the Probiotic Properties of

Leboš Pavunc, Andreja / Penava, Lenkica / Čuljak, Nina / Banić, Martina / Novak, Jasna / Butorac, Katarina / Ceilinger, Marijana / Miličević, Jelena / Čukelj, Danijela / Šušković, Jagoda / Kos, Blaženka

Food technology and biotechnology

2024 Volume 61, Issue 4, Page(s) 418–429

Abstract: Research background: Increasing awareness of the importance of nutrition in health promotion and disease prevention has driven to the development of foods for special medical purposes (FSMPs). In this study, the probiotic strain : Experimental ... ...

Abstract	Research background: Increasing awareness of the importance of nutrition in health promotion and disease prevention has driven to the development of foods for special medical purposes (FSMPs). In this study, the probiotic strain Experimental approach: A series of Results and conclusions: The Novelty and scientific contribution: The results support the positive effect of the FSMP matrix on the specific probiotic properties of
Language	English
Publishing date	2024-01-09
Publishing country	Croatia
Document type	Journal Article
ZDB-ID	1340467-2
ISSN	1330-9862
ISSN	1330-9862
DOI	10.17113/ftb.61.04.23.8045
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Z 7645: Show issues

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Article ; Online: Computational Studies on Selected Macrolides Active against

Arsic, Biljana / Barber, Jill / Cikos, Ana / Kadirvel, Manikandan / Kostic, Emilija / McBain, Andrew J / Milicevic, Jelena / Oates, Angela / Regan, Andrew

Molecules (Basel, Switzerland)

2022 Volume 27, Issue 21

Abstract: 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 docking, ADMET), NMR, and ... ...

Abstract	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 docking, ADMET), NMR, and microbiological investigations of selected macrolides (14-membered, 15-membered, and 16-membered), aiming to discover the pattern of design for macrolides active against Gram-negative bacteria. Although the conformational studies of 14-membered and 15-membered macrolides are abundant in the literature, 16-membered macrolides, and their most prominent representative tylosin A, have received relatively little research attention. We therefore report the complete
MeSH term(s)	Tylosin/pharmacology ; Tylosin/chemistry ; Macrolides/chemistry ; Anti-Bacterial Agents/chemistry ; Chloroform ; Escherichia coli/metabolism ; Gram-Positive Bacteria/metabolism ; Molecular Docking Simulation ; Gram-Negative Bacteria/metabolism
Chemical Substances	Tylosin (YEF4JXN031) ; Macrolides ; Anti-Bacterial Agents ; Chloroform (7V31YC746X)
Language	English
Publishing date	2022-10-26
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	1413402-0
ISSN	1420-3049 ; 1431-5165 ; 1420-3049
ISSN (online)	1420-3049
ISSN	1431-5165 ; 1420-3049
DOI	10.3390/molecules27217280
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Article ; Online: Identification of SARS-CoV-2 Papain-like Protease (PLpro) Inhibitors Using Combined Computational Approach.

Sencanski, Milan / Perovic, Vladimir / Milicevic, Jelena / Todorovic, Tamara / Prodanovic, Radivoje / Veljkovic, Veljko / Paessler, Slobodan / Glisic, Sanja

ChemistryOpen

2021 Volume 11, Issue 2, Page(s) e202100248

Abstract: In the current pandemic, finding an effective drug to prevent or treat the infection is the highest priority. A rapid and safe approach to counteract COVID-19 is in silico drug repurposing. The SARS-CoV-2 PLpro promotes viral replication and modulates ... ...

Abstract	In the current pandemic, finding an effective drug to prevent or treat the infection is the highest priority. A rapid and safe approach to counteract COVID-19 is in silico drug repurposing. The SARS-CoV-2 PLpro promotes viral replication and modulates the host immune system, resulting in inhibition of the host antiviral innate immune response, and therefore is an attractive drug target. In this study, we used a combined in silico virtual screening for candidates for SARS-CoV-2 PLpro protease inhibitors. We used the Informational spectrum method applied for Small Molecules for searching the Drugbank database followed by molecular docking. After in silico screening of drug space, we identified 44 drugs as potential SARS-CoV-2 PLpro inhibitors that we propose for further experimental testing.
MeSH term(s)	COVID-19 ; Coronavirus Papain-Like Proteases/chemistry ; Humans ; Molecular Docking Simulation ; SARS-CoV-2/chemistry
Chemical Substances	Coronavirus Papain-Like Proteases (EC 3.4.22.2) ; papain-like protease, SARS-CoV-2 (EC 3.4.22.2)
Language	English
Publishing date	2021-12-21
Publishing country	Germany
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2655605-4
ISSN	2191-1363 ; 2191-1363
ISSN (online)	2191-1363
ISSN	2191-1363
DOI	10.1002/open.202100248
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Article ; Online: The use of transpulmonary contrast echocardiography

Stojšić-Milosavljević Anastrazija / Ilić Aleksandra / Stojšić Snežana / Ivanović Vladimir / Milićević Jelena / Kovač Robert / Stefanović Maja / Tadić Snežana / Miljković Tatjana / Bjelobrk Marija / Dabović Dragana / Živkov-Šaponja Dragoslava / Petrović Milovan / Aleksandar Redžek

Vojnosanitetski Pregled, Vol 78, Iss 10, Pp 1036-

A first experience in Serbia

2021 Volume 1045

Abstract: Background/Aim. Contrast echocardiography (CE) is an echocardiographic modality where ultrasound contrast echocardiographic agent (CEA) is introduced peripherally for the image enhancement. The aim of this study was to present the initial clinical ... ...

Abstract	Background/Aim. Contrast echocardiography (CE) is an echocardiographic modality where ultrasound contrast echocardiographic agent (CEA) is introduced peripherally for the image enhancement. The aim of this study was to present the initial clinical experience of the use of CEA Optison™ (GE Healthcare, Princeton, NJ) at the Institute for Cardiovascular Diseases of Vojvodina, Serbia and prospectively monitor the occurrence of possible side effects. Methods. A total of 357 patients were referred for resting or stress echocardiographic examinations, with an approved indication for CEA administration. The average age of patients was 63.3 years (range, 21–92 years), 62% of them were men. Most of the patients (77.31%) had some form of ischemic heart diseases. Hypertension was the most frequent risk factor (77.03%), but 57 patients had diabetes mellitus and 33 patients had chronic kidney disease as comorbidity. Most (90.5%) of the patients were on beta blocker therapy, 83.5% of them on angiotensin converting enzyme/angiotensin receptor blockers. Majority (80.3%) of the patients received single or dual (49.5%) antiagregation therapy, 74 (26.3%), of them were on anticoagulation therapy, 55.1% of the patients were taking diuretics. The global ejection fraction (EF) was preserved in 39.85% of them, the majority (136 of them), had left ventricle (LV) impairment, with an EF less than 50%. Patients were followed up for 30 minutes after CEA administration for potential side effects. In 118 patients, vital signs (heart rate, oxygen saturation, body temperature, systolic and diastolic blood pressure) were measured before and 30 minutes after CEA administration. Results. The administration of CEA was not associated with side effects. Diastolic blood pressure drop and heart rate increase were statistically, but not clinically significant (p = 0.027 and p = 0.028, respectively). Conclusion. Changes in analyzed vital signs were clinically non relevant. CE is a safe noninvasive diagnostic modality for patients undergoing rest and ...
Keywords	adverse drug reaction reporting systems ; cardiovascular diseases ; comorbidity ; contrast media ; echocardiography ; Medicine (General) ; R5-920
Subject code	610 ; 616
Language	English
Publishing date	2021-01-01T00:00:00Z
Publisher	Military Health Department, Ministry of Defance, Serbia
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Multiwalled carbon nanotubes modified with MoO

Milićević, Jelena S / Ranđelović, Marjan S / Momčilović, Milan Z / Zarubica, Aleksandra R / Mofarah, Sajjad S / Matović, Branko / Sorrel, Charles C

Mikrochimica acta

2020 Volume 187, Issue 8, Page(s) 429

Abstract: A glassy carbon electrode was functionalized by ... ...

Abstract	A glassy carbon electrode was functionalized by MoO
Language	English
Publishing date	2020-07-06
Publishing country	Austria
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	89-9
ISSN	1436-5073 ; 0026-3672
ISSN (online)	1436-5073
ISSN	0026-3672
DOI	10.1007/s00604-020-04406-4
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