Inhibition mechanism of human salivary α-amylase by lipid transfer protein from Vigna unguiculata

Computational Biology and Chemistry
Flávia Camila Vieira da SilvaAndré de Oliveira Carvalho

Abstract

VuLTP1.1, a LTP1 from Vigna unguiculata, inhibits 78.1 % of the human salivary α-amylase (HSA) activity at 20 μM. We had performed a correlation study between VuLTP1.1 structure and HSA inhibitory activity and showed that two VuLTP1.1 regions are responsible for HSA inhibition. In one of them we had characterized the crucial importance of an Arg39 for inhibition. In this work, we analyzed the VuLTP1.1-HSA interaction by protein-protein docking to understand the most probable interaction model and the mechanism of HSA inhibition by VuLTP1.1. The VuLTP1.1 tertiary structure quality and refinement as well as the docking assay between VuLTP1.1 and HSA were done by bioinformatic programs. HSA inhibition occurs by direct interaction of the VuLTP1.1 with the HSA causing the obstruction of the carbohydrate biding cleft with Gibbs free energy of -18.5 Kcal/mol and the dissociation constant of 2.6E-14 M. The previously identified Arg39 of VuLTP1.1 is burrowed into the active site of the HSA and there it interacts with the Asp300 of HSA catalytic site by a hydrogen bond. We had confirmed the importance of the Arg39 of VuLTP1.1 for the HSA inhibition which interacts with the Asp300 at the HSA active site. I-2, a LTP-like peptide, presents ...Continue Reading

References

Dec 5, 1993·Journal of Molecular Biology·A Sali, T L Blundell
Jan 1, 1997·Methods in Enzymology·D EisenbergJ U Bowie
May 16, 2002·The Journal of Biological Chemistry·Dharmaraj SamuelPing-Chiang Lyu
Jan 31, 2003·Proteins·Simon C LovellDavid C Richardson
Feb 12, 2004·Biochimica Et Biophysica Acta·Birte SvenssonBirgit C Bønsager
Jun 1, 1996·Annual Review of Plant Physiology and Plant Molecular Biology·Jean-Claude Kader
Jul 21, 2004·Journal of Computational Chemistry·Eric F PettersenThomas E Ferrin
May 23, 2007·Nucleic Acids Research·Markus Wiederstein, Manfred J Sippl
Sep 14, 2007·Journal of Economic Entomology·Maria José de Sousa-MajerThomas J V Higgins
Oct 20, 2007·Clinical Cancer Research : an Official Journal of the American Association for Cancer Research·Ping ZhaoBrian Cao
Nov 15, 2011·Nucleic Acids Research·Engin CukurogluOzlem Keskin
Jan 25, 2013·Bioinformatics·Mieczyslaw TorchalaPaul A Bates
Feb 26, 2013·Journal of Agricultural and Food Chemistry·Fanrong ZengQiannan Li
Apr 24, 2015·BMC Bioinformatics·Sony MalhotraRamanathan Sowdhamini
Jul 21, 2015·ELife·Anna Vangone, Alexandre Mjj Bonvin
Sep 28, 2015·Journal of Molecular Biology·G C P van ZundertA M J J Bonvin
Oct 9, 2015·Bioinformatics and Biology Insights·Anshul Sukhwal, Ramanathan Sowdhamini
Oct 20, 2015·Plant Signaling & Behavior·Luciana A PagnussatLaura de la Canal
Apr 5, 2016·Scientific Reports·Renzhi Cao, Jianlin Cheng
Mar 7, 2017·Proteins·Kliment Olechnovič, Česlovas Venclovas
Apr 19, 2017·Bioinformatics·Balachandran Manavalan, Jooyoung Lee
May 19, 2017·Nucleic Acids Research·Yumeng YanSheng-You Huang
Aug 16, 2017·Scientific Reports·Irina S MoreiraAlexandre M J J Bonvin
Sep 7, 2017·Protein Science : a Publication of the Protein Society·Roman A LaskowskiJanet M Thornton
Oct 13, 2017·Journal of the American Association of Nurse Practitioners·Sharon M Fruh
Nov 6, 2018·Journal of Chemical Information and Modeling·Flávia Camila Vieira da SilvaAndré de Oliveira Carvalho

❮ Previous
Next ❯

Citations

Mar 23, 2021·Peptides·Mariana Rocha Maximiano, Octávio Luiz Franco
Oct 22, 2021·Probiotics and Antimicrobial Proteins·Larissa Maximiano ResendeValdirene Moreira Gomes

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.