ArticleJournal of molecular modeling2016
Functional analysis of the binding model of microbial inulinases using docking and molecular dynamics simulation.
Article in Journal of molecular modeling, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed, 28 citations in OpenAlex.
- Computational Approaches for the Structure-Based Identification of Novel Inhibitors Targeting Nucleoid-Associated Proteins in Mycobacterium Tuberculosis.Molecular biotechnology · 2024Article
- Synthetic Biology Perspectives of Microbial Enzymes and Their Innovative Applications.Indian journal of microbiology · 2019Article
- Thermostability and Substrate Specificity of GH-11 Xylanase fromIndian journal of microbiology · 2018Article
- Article
- Bioengineering of Nitrilases Towards Its Use as Green Catalyst: Applications and Perspectives.Indian journal of microbiology · 2017Review
- Lipid production and molecular dynamics simulation for regulation ofBiotechnology for biofuels · 2017Article
- Current Technological Improvements in Enzymes toward Their Biotechnological Applications.Frontiers in microbiology · 2016Review
- Catalytic Interactions and Molecular Docking of Bile Salt Hydrolase (BSH) fromFrontiers in microbiology · 2016Article
- Molecular Detection and Environment-Specific Diversity of Glycosyl Hydrolase Family 1 β-Glucosidase in Different Habitats.Frontiers in microbiology · 2016Article
- Recent Developments in Systems Biology and Metabolic Engineering of Plant-Microbe Interactions.Frontiers in plant science · 2016Review
- An Alkaline Protease from Bacillus pumilus MP 27: Functional Analysis of Its Binding Model toward Its Applications As Detergent Additive.Frontiers in microbiology · 2016Article
Corrections and comments
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Authors and funding
5 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Recently inulinase has regained interest due to its usage in the production of fructooligosaccharides, biofuels, and in pharmaceutical industries. Inulinases properties are experimentally reported by nomerous studies but their characteristics are just partially explained by only a few computational investigations. In the present study we have investigated exoinulinase and endoinulinase from different microbial sources toward their catalytic activity. Docking and molecular dynamic (MD) simulation were carried out for microbial endoinulinase and exoinulinase docked with 1-kestose and fructose-6-phosphate respectively. Pseudomonas mucidolens (-7.42 kcal mol(-1) binding energy), docked with fructose-6-phosphate, was recorded as the most favorable binding energy, Pseudomonas mucidolens made hydrogen bonds with fructose-6-phosphate and the amino acids involved were arginine 286, tryptophan 158, and isoleucine 87. After the simulation only tryptophan 158 remained bonded and additionally valine 156 made hydrogen bonds with fructose-6-phosphate. Aspergillus niger docked with 1-kestose was bonded with the involvement of threonine 271, aspartate 285, threonine 288, and proline 283, after the simulation aspartate 285 was retained till the end of the simulation. The present study thus refers to the indication of depicting binding analysis of microbial inulinases.
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