Determination of the Inhibitory Capacity on HMG-CoA Reductase Enzyme by Statins Using Molecular Docking Method

Florescu, Cristina; Rotaru, Luciana Teodora; Varut, Renata Maria; Grigorași, Gabriela; Kostici, Roxana; Ciobanu, Daniela; Cimpoeşu, Diana

doi:10.37358/rc.18.4.6210

Cited by 8 publications

(7 citation statements)

References 7 publications

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“…Molecular modeling programs help researchers in all fields to find new terapeutic targets for the development of new drugs [20,21]. Molecular docking technique helps us to understand ligand-receptor interaction, to know binding energy and the stability of the complex [22][23].…”

Section: Resultsmentioning

confidence: 99%

Correlation of the Theoretical Study with the Experimental Determination of the Antibacterial Effect of Vaccinium myrtillus folium (VM-f) Plant Extract

Rotaru¹

2019

Rev. Chim.

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The last century was marked by efforts to search for natural compounds with antibacterial therapeutic properties, due to the gradual reduction of the number of effective allopathic antibiotics and on the toxic effects of antibiotic residues in animal products. Medicinal plants are considered new resources for producing agents that could act as alternatives to antibiotics in the treatment of antibiotic-resistant bacteria. We determined the polyphenolic composition of the tested plant extract by HPLC technique. The aim of this study was to evaluate the antibacterial activity of Vaccinum myrtillus folium (VM-f) ethanolic extract, using the diffusion method on nutritive agar (Kirby-Bauer). We compared the experimental results with the theoretical antibacterial activity calculated with AUTODOCK 4.2.

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Section: Resultsmentioning

confidence: 99%

Correlation of the Theoretical Study with the Experimental Determination of the Antibacterial Effect of Vaccinium myrtillus folium (VM-f) Plant Extract

Rotaru¹

2019

Rev. Chim.

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“…The preparation of receptor molecule involves adding polar hydrogens, computing the Gasteiger charge; the grid box was created using Autogrid 4 with 100×100×100 Å in x, y and z directions with 0.9 Å spacing. All the calculations were performed in vacuum [12].…”

Section: Experimental Part Materials and Methodsmentioning

confidence: 99%

Determining the Influence of Alcohol on the Pharmacological Effect of Benzodiazepines by Molecular Docking Tehnique

Rotaru¹,

Nedelea²,

Văruţ³

et al. 2019

Rev. Chim.

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Benzodiazepines represents a large category of medications that were originally developed to treat anxiety disorders or issues with anxiety, seizures, and issues with sleeping. The most common drugs abused along with benzodiazepines are other benzodiazepines, prescription pain medications and alcohol. Alcohol and benzodiazepine have a synergistic depressant effect on the central nervous system. Combining alcohol with benzodiazepines can be dangerous practice even if it is engaged in only occasionally. In the present study, using molecular docking technique we followed the binding energy of benzodiazepines with benzodiazepine receptor and efficacy of the flumazenil antidote against benzodiazepine in the presence and absence of alcohol. We realized correlation study of molecular descriptors value of benzodiazepines with benzodiazepine-GABAA complex binding energy.

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“…All calculations were performed in vacuum. For the docking process was chosen the Lamarckian genetic algorithm, with a population of 150 and a number of 30 rounds [27].…”

Section: Staphylococcus Aureus Escherichia Coli Klebsiella Pneumoniaementioning

confidence: 99%

Antibacterial Activity of Fresh Onion and Garlic Juices

2020

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Herbal extracts with antimicrobial potential represent an important research directive, in the current medical world, aiming to isolate active components, to develop new chemotherapeutic agents with applicability in the treatment or use as adjuvant therapy in infectious states. Antimicrobial properties of plants are conferred by their ability to synthesize certain secondary metabolites with relatively complex structures. The last century has been marked by sustained efforts to search for new natural compounds with antibacterial therapeutic properties, due to the gradual reduction in the number of effective allopathic antibiotics and the toxic effects of antibiotic residues. Numerous in vitro studies have shown that plants have antibacterial efficacy, discovering the importance of little-studied natural resources in this regard, as being effective in fighting against bacterial resistance and destroying bacterial agents. In this study, the antibacterial effect of the fresh onion and garlic juice was compared to the antibiotics of choice, using the diffusimetric agar method. Both plant products tested have antibacterial effect, the bacterial species being classified as sensitive to their action. The molecular docking method helps us to see the type of interaction between ligands and targets, allicin having no common binding site with antibiotics of choice.

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Determination of the Inhibitory Capacity on HMG-CoA Reductase Enzyme by Statins Using Molecular Docking Method

Cited by 8 publications

References 7 publications

Correlation of the Theoretical Study with the Experimental Determination of the Antibacterial Effect of Vaccinium myrtillus folium (VM-f) Plant Extract

Correlation of the Theoretical Study with the Experimental Determination of the Antibacterial Effect of Vaccinium myrtillus folium (VM-f) Plant Extract

Determining the Influence of Alcohol on the Pharmacological Effect of Benzodiazepines by Molecular Docking Tehnique

Antibacterial Activity of Fresh Onion and Garlic Juices

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