Kalibulla Syed Ibrahim (2024) Molecular docking analysis of subtilisin-like alkaline serine protease (SLASP) and laccase with natural biopolymers. Molecular docking analysis of subtilisin-like alkaline serine protease (SLASP) and laccase with natural biopolymers. pp. 1-12.

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Abstract

Alkaline serine proteases (ASPs) and laccases
(Lacs) have been reported to possess several industrial
applications, particularly in the food, cosmetic, and leather
industries. Thus, in the present study, eighteen natural
biopolymers, including agar, agarose, alginate, kappa car
rageenan, cellulose, chitosan pentamer, chitosan oligosac
charide, chondroitin sulfate, dextran, fucoidan, heparin,
hyaluronan, lignin, mannan, pectin, phytic acid, pullulan
and starch soluble, were studied for their docking behavior,
such as subtilisin-like alkaline serine protease (SLASP) KP-43
and Bacillus subtilis laccase (Bs Lac), using the SwissDock
method. Additionally, the toxicity toward honey bees and
human liver was determined by utilizing the free Bee-Tox
and pkCSM web servers, respectively. Bee-Tox analysis
demonstrated that four ligands (namely, agar, cellulose,
lignin, and pullulan) exhibited acute oral toxicity toward
honey bees (Apis mellifera). The docking study revealed
that chitosan pentamer and lignin exhibited maximum
binding energies of −9.67 and −11.37kcal/mol against the
target proteins SLASP (KP-43) and Lac (Bs Lac), respectively.
Interestingly, in the present study, agarose was shown to interact with the His68 and Ser255 amino acid residues of
SLASP (KP-43) from KSM-KP43 Bacillus sp. Thus, the current
investigation showed the potential of eighteen natural bio
polymers as immobilizing agents to prepare ASP and Lac
nanoparticles for biomedical applications

Item Type: Article
Uncontrolled Keywords: : molecular docking, natural biopolymer, subti lisin-like alkaline serine protease, Bacillus subtilis laccase, chitosan, nanoparticles, MD simulation
Divisions: PSG College of Arts and Science > Department of Biotechnology
Depositing User: Dr. B Sivakumar
Date Deposited: 10 Dec 2025 09:11
Last Modified: 10 Dec 2025 09:11
URI: https://ir.psgcas.ac.in/id/eprint/2571

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