Designing of Disulfide Cyclic Peptide for Inhibiting Polymerase A and B1 (PA&lt;sub&gt;C&lt;/sub&gt;-PB1&lt;sub&gt;N&lt;/sub&gt;) in H1N1 Virus using Molecular Simulation Approach

Tambunan, Usman Sumo Friend; Nasution, Mochammad Arfin Fardiansyah; Parikesit, Arli Aditya; Noviardi, Harry; Kerami, Djati

doi:10.3844/ojbsci.2016.122.129

Cited by 3 publications

(2 citation statements)

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“…Non-bonding interactions represent a flexible interaction between pairs of atoms and particles. Two types of non-bonding interactions that can lead to the most common change in potential energy is the electrostatic interaction and van der Waals interactions [19]. It is necessary to analyze the complex enzyme-contact residues ligand docking simulation results can be known enzyme residues that interact with ligands.…”

Section: Resultsmentioning

confidence: 99%

Finding a Potential Bruceine D Inhibitor for Apoptotic Resistance Protein Pancreatic Cancer Based on Molecular Docking

Wulanawati

Noviardi²,

Ibrohim

2018

Indones. J. Chem.

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Section: Resultsmentioning

confidence: 99%

Finding a Potential Bruceine D Inhibitor for Apoptotic Resistance Protein Pancreatic Cancer Based on Molecular Docking

Wulanawati

Noviardi²,

Ibrohim

2018

Indones. J. Chem.

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“…Wild-growing ancestors of cultivated rice had a colored grain pericarp. In the countries of traditional rice growing, along with white-grain varieties, red-and black-grain rice is grown for use as a dietary and medicinal product (Blagov et al, 2024;Tambunan et al, 2016;Kerboua et al, 2016). It is eaten without pre-grinding of the grains, so all the nutrients and biologically active substances that are valued in this crop are preserved (Valarmathi et al, 2020).…”

Section: Introductionmentioning

confidence: 99%

Heritability and amylose content in hybrid lines of late-generation rice with colored pericarp

Baiseitova,

Berkimbay,

Mynbayeva

et al. 2023

Braz. J. Biol.

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Improving grain quality in rice breeding is one of the main tasks. This concerns the creation of rice varieties with colored pericarp uncommon in the Republic of Kazakhstan, and the assessment of its quality is an important stage of breeding. Rice with colored pericarp is an important dietary crop, more useful for the human body than white rice. Regardless of the type of rice, the amount of amylose in rice grain is a crucial indicator that determines the quality of rice. The paper presents the results of electrophoretic separation of spare grain proteins of rice hybrids and dihaploids with colored pericarp and their parent forms obtained as a result of the hybridization of varieties with colored pericarp (Black Rice (China), Mavr (Russia), and Yir 5815 (Ukraine)) with white rice varieties zoned in Kazakhstan. The hybridization of the rice varieties with colored pericarp with white rice varieties was carried out to obtain rice varieties with colored pericarp oriented to the soil and climate of Kazakhstan. Analyzing the results of electrophoresis and the amount of amylose, it was found that hybrid lines differed in amylose content. One of the studied hybrids was high in amylose, four had a medium amylose content, ten had a low amylose content, three had a very low amylose content, and six were glutinous. According to the results of electrophoretic separation of spare rice grain proteins, the spectrum of the enzyme determining amylose was detected in five hybrids, which corresponds to the results of spectrophotometric determination of amylose: high amylose in one hybrid and medium amylose content in four. The results show that the hybrids obtained as a result of hybridization are true hybrids and as a result of long-term selection, the amylose content in the F7-F8 hybrids stabilized. The hybrids can be used in further breeding of rice with colored pericarp.

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Flexible docking-based molecular dynamics simulation of natural product compounds and Ebola virus Nucleocapsid (EBOV NP): a computational approach to discover new drug for combating Ebola

et al. 2018

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BackgroundEbola still remains as one of the most problematic infectious diseases in Africa with a high rate of mortality. Although this disease has been known for an almost half-century, there are no vaccines and drugs available in the market to treat Ebola. Zaire ebolavirus (EBOV), a single-stranded RNA virus which belongs to Filoviridae family and Mononegavirales order, is one of the virus causing Ebola. As one of seven proteins that EBOV encodes, Ebola virus nucleoprotein (EBOV NP) plays an imperative role in EBOV proliferation cycle. Therefore, the development of a new Ebola treatment can be targeted towards EBOV NP.ResultsIn this work, we screened about 190,084 natural product compounds from ZINC15 database through in silico virtual screening and flexible docking simulation. Furthermore, the bioavailability and toxicity prediction have been conducted as well. Two best ligands according to the simulation and prediction tests were progressed into the molecular dynamics simulation.ConclusionIn the end, we found that our proposed ligands, namely α-lipomycin (ZINC56874155) and 3-(((S)-1-amino-1,2,3,4-tetrahydroisoquinolin-5-yl)methyl)-5-((5-((5R,7S)-5,7-dihydroxy-3-oxodecyl)-2-hydroxyphenoxy) methyl)pyrrolo[3,4-b]pyrrol-5-ium (ZINC85628951), showed the promising results to be developed as a lead compounds for treating Ebola. Therefore, an experimental study is required to validate their inhibition activities against EBOV NP.

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Designing of Disulfide Cyclic Peptide for Inhibiting Polymerase A and B1 (PA<sub>C</sub>-PB1<sub>N</sub>) in H1N1 Virus using Molecular Simulation Approach

Cited by 3 publications

References 38 publications

Finding a Potential Bruceine D Inhibitor for Apoptotic Resistance Protein Pancreatic Cancer Based on Molecular Docking

Finding a Potential Bruceine D Inhibitor for Apoptotic Resistance Protein Pancreatic Cancer Based on Molecular Docking

Heritability and amylose content in hybrid lines of late-generation rice with colored pericarp

Flexible docking-based molecular dynamics simulation of natural product compounds and Ebola virus Nucleocapsid (EBOV NP): a computational approach to discover new drug for combating Ebola

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