Taste-active peptides and amino acids of pork meat as components of dry-cured meat products: An in-silico study

2017 ◽  
Vol 32 (6) ◽  
pp. e12301 ◽  
Author(s):  
Paulina Kęska ◽  
Joanna Stadnik
Keyword(s):  
Amino Acids ◽  
In Silico ◽  
Meat Products ◽  
Pork Meat ◽  
Active Peptides ◽  
In Silico Study ◽  
Cured Meat

scholarly journals An In Silico study of TiO2 nanoparticles interaction with twenty standard amino acids in aqueous solution

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Shengtang Liu ◽  
Xuan-Yu Meng ◽  
Jose Manuel Perez-Aguilar ◽  
Ruhong Zhou
Keyword(s):  
Aqueous Solution ◽  
Amino Acids ◽  
Tio2 Nanoparticles ◽  
In Silico ◽  
In Silico Study

scholarly journals In silico study to examine the role of amino acids in Jasmonate induced plant defense process

2018 ◽  
Vol 5 (10) ◽  
pp. 289-301
Author(s):  
Ruma Ganguly ◽  
Sailesh K. Mehta
Keyword(s):  
Amino Acids ◽  
Amino Acid ◽  
Jasmonic Acid ◽  
Plant Defense ◽  
In Silico ◽  
Induced Plant Defense ◽  
In Silico Study

The role of amino acid is important to Jasmonate induce plant defense process. Jasmonic acid and amino acid Isoleucine conjugate (JA-Ile) has been found to be necessary to achieve such process effectively. We have examined the origin of such process computationally and showed that Isoleucine is more active compared to other Jasmonic acid conjugates. The epimerization process revealed that Isoleucine conjugated Jasmonic acid is energetically a favoured process compared to JA-Leu and JA-Val. Water has functioned as a catalyst in the whole epimerization process. This study would unravel the importance of Isoleucine in the Jasmonic acid induced plant defense process.

scholarly journals In silico study of COX-2 on indomethacin and diclofenac as nonsteroidal anti-inflammatory drugs (NSAIDs)

2019 ◽  
Vol 4 (1) ◽  
pp. 31
Author(s):  
Janatun Na'imah
Keyword(s):  
Amino Acids ◽  
In Silico ◽  
3D Structure ◽  
Steric Interaction ◽  
A Value ◽  
Docking Method ◽  
In Silico Study ◽  
Inflammatory Drugs ◽  
Cox 2 ◽  
G Value

Cyclooxygenase is an enzyme that plays a role in the formation of prostaglandins, which can cause inflammation and pain when overexpressed. This study aims to determine the interaction between COX-2 macromolecules (receptors) with their ligands, namely indomethacin and diclofenac in silico using the Molecular Docking method. The COX-2 receptor was downloaded in the form of a 3D structure from the RCSB GDP with code 5F19. Diclofenac Ligand and Indomethacin were downloaded in the form of a 3D structure from the RCSB GDP with 4ZBQ code and 4IK7 code. The results showed that the interaction between COX-2 and indomethacin was the interaction of hydrogen, which linked indomethacin with amino acid Leu531 and steric interactions between indomethacin and amino acids Trp387, Tyr385, Tyr355, Leu352, and Val523. The interaction of [COX-2 – Indomethacin] produces a value of ∆G of -103.136 kcal/mol, and the value of RMSD is 1.244 Å. Whereas, the interaction that occurs in COX-2 with diclofenac is the steric interaction that happens between diclofenac with amino acids Leu390, Trp387, Gln203, His388, His207, and Thr206. The interaction parameter between [COX-2-Diclofenac] obtained ∆G value of -7.843 kcal/mol and an RMSD value of 2.07851 Å. 

scholarly journals Interacting Cubane Assisted Bi-Cytidine with COVID-19 Main Protease: In Silico Study

2021 ◽  
Vol 11 (6) ◽  
pp. 13962-13967
Keyword(s):  
Amino Acids ◽  
Molecular Docking ◽  
In Silico ◽  
Quantum Chemical ◽  
Imaginary Frequency ◽  
Docking Simulations ◽  
Patients With Cancer ◽  
Main Protease ◽  
In Silico Study ◽  
Quantum Chemical Computations

In silico approach, the quantum chemical computations and molecular docking simulations have been used to investigate the formation of cubane assisted cytidine (B-Cyt) derivative for examining its interactions with the COVID-19 main protease. The obtained results indicated that the new B-Cyt derivative could be stabilized without any imaginary frequency. Its orbital orbital-based electronic properties indicated that the structure could have a better interaction with the target than the singular Cyt ligand. The docking process results approved the trend, in which the value of binding energy was very much favorable regarding the singular models, and the number of interaction amino acids was increased. The idea of forming a Cyt derivative with efficient activity against COVID-19 main protease was approved here, which is very much important for protecting the patients with cancer or HIV against the COVID-19 pandemic.

Amino Acids as Additives against Amorphous Aggregation: In Vitro and In Silico Study on Human Lysozyme

2019 ◽  
Vol 189 (1) ◽  
pp. 305-317 ◽  
Author(s):  
Naghmeh Saadati-Eskandari ◽  
Latifeh Navidpour ◽  
Parichehreh Yaghmaei ◽  
Azadeh Ebrahim-Habibi
Keyword(s):  
Amino Acids ◽  
In Silico ◽  
Human Lysozyme ◽  
In Silico Study ◽  
Amorphous Aggregation

In Silico Study of Structural and Geometrical Requirements of Natural Sesquiterpene Lactones with Trypanocidal Activity

2013 ◽  
Vol 13 (10) ◽  
pp. 1407-1414 ◽  
Author(s):  
L. Fabian ◽  
V. Sulsen ◽  
F. Frank ◽  
S. Cazorla ◽  
E. Malchiodi ◽  
...  
Keyword(s):  
In Silico ◽  
Sesquiterpene Lactones ◽  
Trypanocidal Activity ◽  
In Silico Study

In Silico Study of 1, 4 Alpha Glucan Branching Enzyme and Substrate Docking Studies

2020 ◽  
Vol 17 (1) ◽  
pp. 40-50
Author(s):  
Farzane Kargar ◽  
Amir Savardashtaki ◽  
Mojtaba Mortazavi ◽  
Masoud Torkzadeh Mahani ◽  
Ali Mohammad Amani ◽  
...  
Keyword(s):  
Phylogenetic Tree ◽  
In Silico ◽  
Alpha Helix ◽  
In Silico Analysis ◽  
Glycogen Storage ◽  
Docking Studies ◽  
Random Coil ◽  
Special Topic ◽  
Industrial Biotechnology ◽  
In Silico Study

Background: The 1,4-alpha-glucan branching protein (GlgB) plays an important role in the glycogen biosynthesis and the deficiency in this enzyme has resulted in Glycogen storage disease and accumulation of an amylopectin-like polysaccharide. Consequently, this enzyme was considered a special topic in clinical and biotechnological research. One of the newly introduced GlgB belongs to the Neisseria sp. HMSC071A01 (Ref.Seq. WP_049335546). For in silico analysis, the 3D molecular modeling of this enzyme was conducted in the I-TASSER web server. Methods: For a better evaluation, the important characteristics of this enzyme such as functional properties, metabolic pathway and activity were investigated in the TargetP software. Additionally, the phylogenetic tree and secondary structure of this enzyme were studied by Mafft and Prabi software, respectively. Finally, the binding site properties (the maltoheptaose as substrate) were studied using the AutoDock Vina. Results: By drawing the phylogenetic tree, the closest species were the taxonomic group of Betaproteobacteria. The results showed that the structure of this enzyme had 34.45% of the alpha helix and 45.45% of the random coil. Our analysis predicted that this enzyme has a potential signal peptide in the protein sequence. Conclusion: By these analyses, a new understanding was developed related to the sequence and structure of this enzyme. Our findings can further be used in some fields of clinical and industrial biotechnology.

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