| Soybean(Glycine max L.)has high nutritional value,multiple applications in the food industry as well as potential health benefits.Some of the essential functional properties of soybean are not being utilized potentially to their full benefits due to its complex structure.1.Soybean protein hydrolysates were prepared using two proteolytic enzymes(Alcalase and Protamex)and the degree of hydrolysis(DH)and their functional and antioxidant properties were evaluated.The highest DH value was 20%,with a yield of19.77% and protein content of 51.64%.The total amino acid content was more than 41%for all protein hydrolysates.The protein hydrolysates from Protamex at p H 2.0 had excellent solubility,emulsifying activity,and foaming capacity,at 83.83%,95.03 m2/g,and 93.84%,respectively.The water-holding capacity was 4.52 g/g for Alcalase hydrolysis,and the oil-holding capacity was 4.91 g/g for Protamex hydrolysis.The antioxidant activity(62.07%),as measured by the samples’ reaction with DPPH(2,2-diphenyl-1-picrylhydrazyl)and the reducing power(0.27)were the strongest for Protamex hydrolysis.An ABTS activity rate of 70.21% was recorded for Alcalase hydrolysis.These findings indicated a strong potential for the utilization of soybean protein hydrolysates to improve the functional properties and antioxidant activity of soybeans as well as their nutritional values.2.The aforementioned discoveries suggest that the incorporation of soybean protein hydrolysates could be a promising avenue for augmenting the functional attributes,antioxidant potential,and nutritional worth of soybean products,thereby highlighting the relevance and importance of Glycinin G1,the most prevalent protein found in soybean.To further enhance the functional and antioxident properties of soybean protein Glycinin G1,a computational study was employed.The properties of Glycinin G1 particularly,emulsification,solubility and foaming capability are known to be improved by binding with polyphenols.The polyphenols majorly including flavonoids and flavonolignans are natural compounds that are antioxidants and possess numerous health benefits against many chronic human diseases.Here,we utilized ten polyphenolic compounds out of which five were flavonoids,two were flavonolignans,one phenolic acid,one xanthone and one coumarin.This study,we did molecular-docking and molecular dynamics simulation of the ten polyphenolic compounds with Glycinin G1 protein.The complexes of Glycinin G1 protein with Theaflavine and Hydnocarpin D were selected on the basis of their strong binding affinities as compared to the rest.The results were further validated through molecular dynamics simulations results that showed optimal protein RMSF and least RMSD differences in protein and ligands.The number of contacting Glycinin G1 residues with compounds and the types of interactions between protein and ligands were also found significant.The selected compounds out of which one is flavonoid and one is flavonolignan have promising antitumor,antioxidant in addition to anti-inflammatory properties.The results of this study suggest that the polyphenols i.e,Theaflavine and Hydnocarpin D can act as potential compounds that can induce significant structural modifications in Glycinin G1 protein leading to its improved physicochemical and functional properties.These compounds also have promising anti-tumor,antioxidant,and anti-inflammatory properties,making them a potential option for cancer prevention and treatment.3.To assess the antioxidant and anti-tumor properties of G1-polyphenol complexes,they were tested on colorectal-cancer which is the leading cause of cancer related deaths also one of the most prevalent cancers in the world,particularly in Asia.The mutations in three oncogenic pathways(CIN,MSI,and CIMP hypermethylation)have been welldocumented as a significant cause of CRC development and progression.CHK2,a cell cycle checkpoint protein,has been observed as a promising drug target owing to its central role in the DNA damage network and frequent CHEK2 mutations found in CRC.The increased drug resistance,toxicity,and non-effectiveness of traditional CRC therapies have attracted attention to design novel therapies.Soybean,a natural product,has been utilized in this study as an inhibitor of CHK2 due to its range of health benefits,particularly cancer-preventive effects against CRC.Here,we used the computational drug discovery approach to assess the binding of the Glycinin G1 with CHK2 based on their binding affinities,interactions,and simulations-based conformational stability.Additionally,the binding of CHK2 with the Glycinin G1 complex and EGCG was also evaluated using molecular-docking and molecular-dynamics simulation techniques.The results of molecular-docking and molecular-dynamics simulations highlighted the solid binding interactions amongst the Glycinin G1-polyphenol complex and CHK2,reporting it as a promising inhibitor in CRC. |
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