scholarly journals Isolation and characterization of ACE‐I inhibitory peptides from ribbonfish for a potential inhibitor of the main protease of SARS‐CoV‐2; an in‐silico analysis.

2021 ◽  
Author(s):  
Undiganalu Gangadharappa Yathisha ◽  
Mahendra Gowdru Srinivasa ◽  
Revana Siddappa B. C. ◽  
Shankar P. Mandal ◽  
Sheshagiri R. Dixit ◽  
...  
Keyword(s):  
In Silico ◽  
In Silico Analysis ◽  
Inhibitory Peptides ◽  
Potential Inhibitor ◽  
Isolation And Characterization ◽  
Main Protease ◽  
Silico Analysis

In-Vitro and In-Silico Characterization of Xylose Reductase from Emericella nidulans

2019 ◽  
Vol 13 (2) ◽  
pp. 159-170 ◽  
Author(s):  
Vishal Ahuja ◽  
Aashima Sharma ◽  
Ranju Kumari Rathour ◽  
Vaishali Sharma ◽  
Nidhi Rana ◽  
...  
Keyword(s):  
Production Process ◽  
In Silico ◽  
Xylose Reductase ◽  
In Silico Analysis ◽  
Emericella Nidulans ◽  
Higher Temperature ◽  
In Silico Characterization ◽  
Silico Analysis

Background: Lignocellulosic residues generated by various anthropogenic activities can be a potential raw material for many commercial products such as biofuels, organic acids and nutraceuticals including xylitol. Xylitol is a low-calorie nutritive sweetener for diabetic patients. Microbial production of xylitol can be helpful in overcoming the drawbacks of traditional chemical production process and lowring cost of production. Objective: Designing efficient production process needs the characterization of required enzyme/s. Hence current work was focused on in-vitro and in-silico characterization of xylose reductase from Emericella nidulans. Methods: Xylose reductase from one of the hyper-producer isolates, Emericella nidulans Xlt-11 was used for in-vitro characterization. For in-silico characterization, XR sequence (Accession No: Q5BGA7) was used. Results: Xylose reductase from various microorganisms has been studied but the quest for better enzymes, their stability at higher temperature and pH still continues. Xylose reductase from Emericella nidulans Xlt-11 was found NADH dependent and utilizes xylose as its sole substrate for xylitol production. In comparison to whole cells, enzyme exhibited higher enzyme activity at lower cofactor concentration and could tolerate higher substrate concentration. Thermal deactivation profile showed that whole cell catalysts were more stable than enzyme at higher temperature. In-silico analysis of XR sequence from Emericella nidulans (Accession No: Q5BGA7) suggested that the structure was dominated by random coiling. Enzyme sequences have conserved active site with net negative charge and PI value in acidic pH range. Conclusion: Current investigation supported the enzyme’s specific application i.e. bioconversion of xylose to xylitol due to its higher selectivity. In-silico analysis may provide significant structural and physiological information for modifications and improved stability.

scholarly journals An in silico analysis of Ibuprofen enantiomers in high concentrations of sodium chloride with SARS-CoV-2 main protease

2021 ◽  
pp. 1-12
Author(s):  
C. M. Clemente ◽  
M. I. Freiberger ◽  
S. Ravetti ◽  
D. M. Beltramo ◽  
A. G. Garro
Keyword(s):  
Sodium Chloride ◽  
In Silico ◽  
In Silico Analysis ◽  
Main Protease ◽  
Ibuprofen Enantiomers ◽  
High Concentrations ◽  
Silico Analysis

In silico analysis of selenoprotein N (Gallus gallus): absence of EF-hand motif and the role of CUGS-helix domain in antioxidant protection

Metallomics ◽  
2021 ◽  
Vol 13 (3) ◽  
Author(s):  
Shi-Yong Zhu ◽  
Li-Li Liu ◽  
Yue-Qiang Huang ◽  
Xiao-Wei Li ◽  
Milton Talukder ◽  
...  
Keyword(s):  
In Silico ◽  
Common Ancestor ◽  
In Silico Analysis ◽  
Antioxidant Protection ◽  
Jnk Pathway ◽  
Downstream Target ◽  
Ef Hand ◽  
Silico Analysis

Abstract Selenoprotein N (SEPN1) is critical to the normal muscular physiology. Mutation of SEPN1 can raise congenital muscular disorder in human. It is also central to maturation and structure of skeletal muscle in chicken. However, human SEPN1 contained an EF-hand motif, which was not found in chicken. And the biochemical and molecular characterization of chicken SEPN1 remains unclear. Hence, protein domains, transcription factors, and interactions of Ca2+ in SEPN1 were analyzed in silico to provide the divergence and homology between chicken and human in this work. The results showed that vertebrates’ SEPN1 evolved from a common ancestor. Human and chicken's SEPN1 shared a conserved CUGS-helix domain with function in antioxidant protection. SEPN1 might be a downstream target of JNK pathway, and it could respond to multiple stresses. Human's SEPN1 might not combine with Ca2+ with a single EF-hand motif in calcium homeostasis, and chicken SEPN1 did not have the EF-hand motif in the prediction, indicating the EF-hand motif malfunctioned in chicken SEPN1.

scholarly journals Potential of NO donor furoxan as SARS-CoV-2 main protease (Mpro) inhibitors: in silico analysis

2020 ◽  
pp. 1-15 ◽  
Author(s):  
Abdullah G. Al-Sehemi ◽  
Mehboobali Pannipara ◽  
Rishikesh S. Parulekar ◽  
Omkar Patil ◽  
Prafulla B. Choudhari ◽  
...  
Keyword(s):  
In Silico ◽  
In Silico Analysis ◽  
No Donor ◽  
Main Protease ◽  
Silico Analysis

Definition and Characterization of a “Trypsinosome” from Specific Peptide Characteristics by Nano-HPLC−MS/MS and in Silico Analysis of Complex Protein Mixtures

2004 ◽  
Vol 3 (6) ◽  
pp. 1138-1148 ◽  
Author(s):  
Thierry Le Bihan ◽  
Mark D. Robinson ◽  
Ian I. Stewart ◽  
Daniel Figeys
Keyword(s):  
In Silico ◽  
In Silico Analysis ◽  
Complex Protein ◽  
Silico Analysis ◽  
Specific Peptide

scholarly journals In silico analysis of Phyllanthus amarus phytochemicals as potent drugs against SARS-CoV-2 main protease

2021 ◽  
pp. 100159
Author(s):  
T.P. Krishna Murthy ◽  
Trupthi Joshi ◽  
Shivani Gunnan ◽  
Nidhi Kulkarni ◽  
Priyanka V ◽  
...  
Keyword(s):  
In Silico ◽  
In Silico Analysis ◽  
Phyllanthus Amarus ◽  
Main Protease ◽  
Silico Analysis

scholarly journals Utilisation of 2,2DCP by Staphyloccocus aureus ZT and In Silico Analysis of Putative Dehalogenase

2021 ◽  
Vol 13 (1) ◽  
pp. 1-8
Author(s):  
Zatty Zawani Zaidi ◽  
Fahrul Huyop
Keyword(s):  
In Silico ◽  
Culture Media ◽  
Enrichment Culture ◽  
In Silico Analysis ◽  
In Situ Bioremediation ◽  
Isolation And Characterization ◽  
Halogenated Compound ◽  
Silico Analysis ◽  
Dehalogenase Gene

Halogenated compound such as 2,2-dichloropropionic acid is known for its toxicity and polluted many areas especially with agricultural activities. This study focused on the isolation and characterization of the bacterium that can utilise 2,2-dichloropropionic acid from palm oil plantation in Lenga, Johor and in silico analysis of putative dehalogenase obtained from NCBI database of the same genus and species. The bacterium was isolated using an enrichment culture media supplemented with 20 mM 2,2-dicholoropropionic acid as a carbon source.  The cells were grown at 30˚C with cells doubling time of 2.00±0.005 hours with the maximum growth at A680nm of 1.047 overnight. The partial biochemical tests and morphological examination concluded that the bacterium belongs to the genus Staphylococcus sp.. This is the first reported studies of  Staphylococcus sp. with the ability to grow on 2,2-dichloropropionic acid. The genomic DNA from NCBI database of the same species was analysed assuming the same genus and has identical genomic sequence.  The full genome of Staphylococcus sp. was screened for dehalogenase gene and  haloacid dehalogenase gene was detected in the mobile genetic element of the species revealed that the dehalogenase sequence has little identities to the previously reported dehalogenases.The main outcome of the studies suggesting an in situ bioremediation can be regarded as a natural process to detoxify the contaminated sites provided that the microorganisms contained a specialised gene sequence within its genome that served the nature for many long years. Whether microorganisms will be successful in destroying man-made contaminants entirely rely on what types of organisms play a role in in situ bioremediation and which contaminants are most susceptible to bioremediation. 

scholarly journals In silico analysis and identification of promising hits against 2019 novel coronavirus 3C-like main protease enzyme

2020 ◽  
pp. 1-14 ◽  
Author(s):  
Shilpa Chatterjee ◽  
Arindam Maity ◽  
Suchana Chowdhury ◽  
Md Ataul Islam ◽  
Ravi K. Muttinini ◽  
...  
Keyword(s):  
In Silico ◽  
In Silico Analysis ◽  
Protease Enzyme ◽  
Main Protease ◽  
Novel Coronavirus ◽  
Silico Analysis

In silico, Physico-chemical characterization and analysis of Sandalwood proteins

2018 ◽  
Vol 3 (02) ◽  
pp. 150-157
Author(s):  
Asad Amir ◽  
Neelesh Kapoor ◽  
Hirdesh Kumar ◽  
Mohd. Tariq ◽  
Mohd. Asif Siddiqui
Keyword(s):  
Secondary Structure ◽  
In Silico ◽  
Chemical Characterization ◽  
In Silico Analysis ◽  
Chemical Parameters ◽  
Physico Chemical ◽  
In Silico Studies ◽  
The Family ◽  
Silico Analysis

Sandalwood is a commercially and culturally important plant species belonging to the family Santalaceae and the genus Santalum. In Indian sandalwood is renowned for its oil, which is highly rated for its sweet, fragrant, persistent aroma and the fixative property which is highly demanded by the perfume industry. For better production and varieties, requires to understanding the functions of proteins, their analysis and characterization of proteins sequences and their structures, their localizations in cell and their interaction with other functional partner. Due to limited number of in silico studies on sandalwood, in the present study we have performed in silico analysis by characterization of sandalwood proteins. Total 23 proteins were obtained and characterization using UniProtKB, identifying their physico-chemical parameters using ProtParam tool and prediction of their secondary structure elements using GOR of all 23 proteins.

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