In silico Phylogenetics and Molecular Docking Studies of Rhodanese from Yeast (Saccharomyces cerevisiae)

Sanni, David Morakinyo; Lawal, Olusola Tosin; Fatoki, Toluwase Hezekiah; Salawu, S.O.

doi:10.9734/jabb/2018/40974

Cited by 4 publications

(2 citation statements)

References 9 publications

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“…The lack of an anti-clotting effect of parallel D7 and Hamadarin-related proteins shows that the inhibition of the intrinsic blood coagulation pathway has developed primarily inside the D7r1 hamadarin branch. This branch's terminal location in the evolutionary tree implies that this antimonopoly activity developed exclusively within the anopheline lineage (Sanni et al, 2018). In the blood-sucking insect Rhodnius prolixus the distinctive feature of the hamadarin homolog is the only anti-pelling protein in other short D7 proteins.…”

Section: D-7 Salivary Gland Proteinmentioning

confidence: 95%

Computational Screening Approaches for Drug Discovery and Vaccine from Plant Derived Products Against Mosquito-Borne Diseases

J.¹,

Babu²,

Ashok³

2022

IJZI

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In order to deal correctly with difficulties, modern technology like computer tools and experimental techniques must be used quickly and efficiently. Ligand-binding sites are frequently the beginning point for protein annotation and drug design structures. In recent decades, several computer approaches have been developed for the prediction of binding sites. Knowledge of the 3D structures of protein has been known for long, but new advancements have altered the possibilities drastically in genome sequencing, robotics and bioinformatics. These high-performance structural determination methods can offer strong screening approaches in recent days.

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Section: D-7 Salivary Gland Proteinmentioning

confidence: 95%

Computational Screening Approaches for Drug Discovery and Vaccine from Plant Derived Products Against Mosquito-Borne Diseases

J.¹,

Babu²,

Ashok³

2022

IJZI

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“…The molecular docking studies were carried out according to the method of Sanni et al [30]. Briefly, all water molecules, hetero atoms, and multichain were removed from the crystal structure of the prepared targets using PyMol v2.0.7.…”

Section: Molecular Docking Studiesmentioning

confidence: 99%

HPLC-UV Standard Phenolic Constituents of African Bush Mango (Irvingia gabonensis) and Molecular Docking on Polyphenol Oxidases

Adeseko

Sanni

Salawu

et al. 2019

JALSI

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Introduction: Irvingia gabonensis belongs to the Irvingiaceae plant family and commonly known as the African bush mango, wild mango, Dika nut and Manguier sauvage. The fruits of I. gabonensis are edible and their use in traditional medicine has been reported for the treatment of diabetes, diarrhea, wound ulcer, hepatic disorder, microbial infections, and inflammatory pains. Aim: This study aimed to identify the standard phenolic contents of I. gabonensis fruit pulp and peel extracts and investigate the bind energy on polyphenol oxidase in order to know why browning of I. gabonensis fruit is often rapidly occur and how to prevent it with suitable inhibitor in an industrial processing. Results: The phenolics that were identified include ellagic acid, cinnamic acid, gallic acid, 3-friedelanone, lupeol, kaempferol, quercetin, alpha-curcumene and zingiberene. The two PPO from Solanum lycopersicum (PDB ID: 6HQI) and Mangifera indica (PDB: D2XZ13_model) have different binding energies across the ligands with highest score by 3-friedelanone (-14.3 and -16.1 kcal/mol respectively), followed by lupeol (-13.9 and -14.6 kcal/mol respectively). The differences in the binding energies across the plant PPOs could be due to variation in the amino acid composition and more importantly the amino acid residues that participate in the catalytic and allosteric activities Conclusion: This study has shown the reason behind rapid browning that usually occur in I. gabonensis and more importantly, the need for effective edible inhibitors of PPO.

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Physicochemical and thermodynamic properties of purified rhodanese from A. welwitschiae LOT1 and the cyanide detoxification potential of the enzyme

Lawal,

Sanni

2024

World J Microbiol Biotechnol

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In silico Phylogenetics and Molecular Docking Studies of Rhodanese from Yeast (Saccharomyces cerevisiae)

Cited by 4 publications

References 9 publications

Computational Screening Approaches for Drug Discovery and Vaccine from Plant Derived Products Against Mosquito-Borne Diseases

Computational Screening Approaches for Drug Discovery and Vaccine from Plant Derived Products Against Mosquito-Borne Diseases

HPLC-UV Standard Phenolic Constituents of African Bush Mango (Irvingia gabonensis) and Molecular Docking on Polyphenol Oxidases

Physicochemical and thermodynamic properties of purified rhodanese from A. welwitschiae LOT1 and the cyanide detoxification potential of the enzyme

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