scholarly journals MOLECULAR DOCKING ANALYSIS OF NATRIURETIC PEPTIDE RECEPTOR-C TOWARDS THE DESIGN OF POTENTIAL ATRIAL FIBRILLATION INHIBITORS

2020 ◽  
Vol 9 (5) ◽  
pp. 2595-2600
Author(s):  
Shubhda Dev
Keyword(s):  
Atrial Fibrillation ◽  
Molecular Docking ◽  
Natriuretic Peptide ◽  
Antiarrhythmic Agents ◽  
Natriuretic Peptide Receptor ◽  
Ligand Interaction ◽  
Docking Analysis ◽  
Peptide Receptor ◽  
Protein Ligand Interaction ◽  
Molecular Docking Analysis

Atrial fibrillation (AF) stands the most widely recognized kind of clinical arrhythmia. Right now accessible anti-Atrial Fibrillation drugs are restricted by just moderate adequacy and an unfavorable safety profile. There is a perceived requirement for enhanced antiarrhythmic agents including activities that are specific for the fibrillating atrium. Therefore, it is of interest to design an appropriate medication for the disease Atrial Fibrillation using Molecular Docking techniques through protein-ligand interaction analysis. Hence, we document the Molecular docking analysis of natriuretic peptide receptor-C towards the design of potential Atrial Fibrillation inhibitors (Aprindine, Inclacumab, and Budiodarone) with the most favorable binding features for further consideration. This study centers around the process for drug discovery finding appropriate medication for the disease Atrial Fibrillation by Molecular Docking technique through protein-ligand interaction. The examination uncovered that out of a couple of molecules that were chosen as target, three of them were seen as most reasonable having the least energies compared to the other molecules. Aprindine, which is utilized in arrhythmia patients as a cardiac depressant. Inclacumab, which is an investigational sedate utilized in trials to look at the treatment and evasion of Myocardial Infarction, Peripheral Arterial Disease (PAD), and Coronary Heart Disease. Budiodarone, which is an antiarrhythmic drug at present in clinical preliminaries identified with amiodarone.

scholarly journals Molecular docking analysis of flupenthixol and desmethylastemizole with the apoptotic regulator proteins CFLAR and TRAF2 linked to lung carcinoma

2021 ◽  
Vol 17 (4) ◽  
Author(s):  
Subrata Das ◽  
Keyword(s):  
Molecular Docking ◽  
Apoptotic Pathway ◽  
Ligand Interaction ◽  
Docking Analysis ◽  
Target Interaction ◽  
Plot Analysis ◽  
Stereochemical Quality ◽  
Gene Network Analysis ◽  
A Cell ◽  
Molecular Docking Analysis

It is known that molecular changes in apoptotic genes due to mutation may cause disruption of apoptotic pathway resulting in an abrupt increase in cell proliferation. Therefore, it is of interest to identify compounds that could potentially replenish the changes in the apoptotic pathway, resulted from mutation. The gene network analysis using the Network Analyzer Plugin of Cytoscape (3.5.1) shows CFLAR and TRAF2 as influential genes in the apoptotic pathway. Mutation in these genes brings loss in apoptotic property of a cell and thus increases the cell proliferating activity. Thus, data on the molecular docking analysis of four natural compounds from Ottelia alismoides (L.) Pers with the two target proteins were reported. Flupenthixol and desmethylastemizole was found to be two efficient ligand molecules based on ligand-target interaction. In stereochemical quality assessment, the Ramachandran plot analysis of receptors indicates the better stereochemical characteristics for receptor-ligand interaction.

scholarly journals Impaired sinoatrial node function and increased susceptibility to atrial fibrillation in mice lacking natriuretic peptide receptor C

2015 ◽  
Vol 593 (5) ◽  
pp. 1127-1146 ◽  
Author(s):  
Emmanuel E. Egom ◽  
Kimberly Vella ◽  
Rui Hua ◽  
Hailey J. Jansen ◽  
Motahareh Moghtadaei ◽  
...  
Keyword(s):  
Atrial Fibrillation ◽  
Natriuretic Peptide ◽  
Sinoatrial Node ◽  
Natriuretic Peptide Receptor ◽  
Peptide Receptor ◽  
Increased Susceptibility

scholarly journals PHARMACOINFORMATICS APPROACH OF IDENTIFIED BIOLOGICAL COMPOUNDS FROM SELECTED PLECTRANTHUS (L.) SPECIES IN TAMIL NADU, INDIA: AN IN-SILICO APPROACH

2021 ◽  
Vol 12 (7) ◽  
pp. 14-21
Author(s):  
Selvarasuvasuki Manikandan ◽  
Sabeerali Ansarali ◽  
Manikandan Priyadharshini ◽  
Ganapathy Murugan Alagu Lakshmanan
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
Tamil Nadu ◽  
Biological Activities ◽  
Ligand Interaction ◽  
Docking Analysis ◽  
Biological Compounds ◽  
Low Toxicity ◽  
Plectranthus Amboinicus ◽  
Molecular Docking Analysis

Aim: Plectranthus (Linn) is a typical genus of the Indian flora. It had been used in the folk medicines for its several medicinal properties. In this study, there are twenty-five major biological compounds were selected from Plectranthus forskohlii, Plectranthus coleoides, Plectranthus rotundifolius and Plectranthus vettiveroides for molecular docking analysis and find out the active compounds against Diabetic, Cancer and Tuberculosis diseases. Materials and methods: Biological compounds of Plectranthus Species were identifying and investigated by GC-MS and the biological activities of these compounds were studied with virtual screening, ADMET analysis, Protein ligand interaction through molecular docking analysis. Results: Twenty-five major biological compounds were selected for virtual screening analysis to find out the drug likeness activity. Out of these twenty-five compounds nine compounds are drug likeness in nature. Based on the ADMET analysis, Thymol beta D-Glucoside showed the low toxicity level and it represent Lipinski rule of five. The molecular docking results of Thymol beta D-Glucoside interact with different target proteins used in the study showed the maximum docking energy was obtained against tuberculosis protein -10.1846kcal/mol followed by diabetic protein -10.8736kcal/mol and cancer protein -11.4109kcal/mol. Conclusion: Plectranthus amboinicus leaves showed significant anti-diabetic, anti-cancer, anti-tuberculosis activity when compared to other studied species such as Plectranthus forskohlii, Plectranthus coleoides, Plectranthus rotundifolius and Plectranthus vettiveroides.

scholarly journals Molecular docking studies of deacetylbisacodyl with intestinal sucrase-maltase enzyme

2017 ◽  
Vol 2 (12) ◽  
pp. 191 ◽  
Author(s):  
Ramchander Merugu ◽  
Uttam Kumar Neerudu ◽  
Karunakar Dasa ◽  
Kalpana V. Singh
Keyword(s):  
Hydrogen Bond ◽  
Molecular Docking ◽  
Electrostatic Interactions ◽  
Docking Studies ◽  
Amino Acid Residues ◽  
Interaction Study ◽  
Ligand Interaction ◽  
Docking Analysis ◽  
Protein Ligand Interaction ◽  
Intestinal Sucrase

Molecular docking of sucrase-isomaltase with ligand deacetylbisacodyl when subjected to docking analysis using docking server, predicted in-silico result with a free energy of -3.36 Kcal/mol which was agreed well with physiological range for protein-ligand interaction, making bisacodyl probable potent anti-isomaltase molecule. According to docking server Inhibition constant is 5.98Mm. which predicts that the ligand is going to inhibits enzyme and result in a clinically relevant drug interaction with a substrate for the enzyme. Hydrogen bond with bond length 3.45is formed between Pro 64 (A) of target and of ligand, which is again indicative of the docking between target and ligand. Excellent electrostatic interactions of polar, hydrophobic, pi-pi and Van der walls are observed. The proteinligand interaction study showed 6 amino acid residues interaction with the ligand.

Role of Natriuretic Peptide Receptor Type C in Dahl Salt-Sensitive Hypertensive Rats

Hypertension ◽  
1997 ◽  
Vol 30 (2) ◽  
pp. 177-183 ◽  
Author(s):  
Miki Nagase ◽  
Katsuyuki Ando ◽  
Takeshi Katafuchi ◽  
Akira Kato ◽  
Shigehisa Hirose ◽  
...  
Keyword(s):  
Natriuretic Peptide ◽  
Receptor Type ◽  
Natriuretic Peptide Receptor ◽  
Hypertensive Rats ◽  
Peptide Receptor ◽  
Type C
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