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In silico structural elucidation of novel lipase encoded by LipHim1 gene and it’s activation by Tween 60

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Title In silico structural elucidation of novel lipase encoded by LipHim1 gene and it’s activation by Tween 60
 
Creator R, Raja Srinath
Basha, Syed Hussain
Pindi, Pavan Kumar
 
Subject Homology modeling
Lipase
LipHim1 gene
Molecular docking
Molecular dynamic simulations
Polysorbate-60
Tween 60
 
Description 485-493
Lipases are unique enzymes which act on esters that catalyze both the hydrolysis of fats and the synthesis of fatty acid
esters including acyl glycerides used in laundry, food, chemical, and also in pharmaceutical industries. Recently a novel
LipHim1 gene was isolated from high diversified soil using metagenomic approach. Earlier studies revealed that lipases are
capable of hydrolyzing fatty acid esters of polyoxyethylene sorbitan (Tweens) leaving turbidity on LB agar plate.
Appearance of turbidity around spots inoculated with Tween 60 was traditionally measured as a function of lipase activity of
extracellular including novel lipase encoded by LipHim1 gene. In this study, we have employed homology modelling to
elucidate the structural aspects of LipHim1 gene encoded lipase enzyme. Furthermore, an In silico analysis employing
molecular docking and molecular dynamic simulations study was taken up to reveal molecular level interactions responsible
for activity of this novel LipHim1 gene encoded lipase in presence of Tween 60. Conventional hydrogen bonding with
Leu135 and Arg137, carbon-hydrogen bonding with Pro71 and Asp139; alkyl and pi-alkyl interaction with Leu90 and Val99
and van der waal force of attraction with Phe132; Leu125; Gly78; Gly131; Val133; Ala79; Pro77; Ser75; Ala73; Leu94;
Pro136 and Ala138 amino acid residues were revealed to be crucial role players. Keeping in view of potential applications
of lipases, especially this novel reported LipHim1 gene encoded lipase in pharmaceutical industry, the knowledge gained
from this study is expected to be critically important.
 
Date 2023-07-28T09:53:32Z
2023-07-28T09:53:32Z
2023-07
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://nopr.niscpr.res.in/handle/123456789/62360
https://doi.org/10.56042/ijbb.v60i6.2777
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJBB Vol.60(06) [June 2023]