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Molecular aspectos of lignocellulosic biomass degradation: dynamics of enzymes and plant cell wall nanoarchitecture

Grant number: 10/08680-2
Support type:Scholarships in Brazil - Doctorate
Effective date (Start): August 01, 2010
Effective date (End): April 30, 2014
Field of knowledge:Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
Principal researcher:Munir Salomao Skaf
Grantee:Rodrigo Leandro Silveira
Home Institution: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
Associated research grant:08/56255-9 - Structure and function of enzymes and auxiliary proteins from Trichoderma, active in cell-wall hydrolysis, AP.BIOEN.TEM


Lignocellulosic biomass from sugar-cane is a high-valued material for the obtantion of biofuels. The best route for converting such biomass into fermentable sugars is the enzymatic catalysis, which is the most expensive step of the whole process. In order to make such processes more efficient and viable is necessary to enhance our understanding of the enzymatic hydrolysis of cellulose. This project aims at elucidating the molecular mechanisms underlying the enzymatic hydrolysis of cellulose using modern computational methodologies, such as molecular dynamics simulations. (AU)

Scientific publications (9)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
SKAF, MUNIR SALOMAO; POLIKARPOV, IGOR; STANKOVIC, IVANA M. A linker of the proline-threonine repeating motif sequence is bimodal. Journal of Molecular Modeling, v. 26, n. 7 JUN 19 2020. Web of Science Citations: 0.
SEIKI KADOWAKI, MARCO ANTONIO; CAMILO, CESAR MOISES; MUNIZ, AMANDA BERNARDES; POLIKARPOV, IGOR. Functional Characterization and Low-Resolution Structure of an Endoglucanase Cel45A from the Filamentous Fungus Neurospora crassa OR74A: Thermostable Enzyme with High Activity Toward Lichenan and beta-Glucan. MOLECULAR BIOTECHNOLOGY, v. 57, n. 6, p. 574-588, JUN 2015. Web of Science Citations: 7.
CAMILO, CESAR M.; POLIKARPOV, IGOR. High-throughput cloning, expression and purification of glycoside hydrolases using Ligation-Independent Cloning (LIC). Protein Expression and Purification, v. 99, p. 35-42, JUL 2014. Web of Science Citations: 21.
PRATES, ERICA T.; STANKOVIC, IVANA; SILVEIRA, RODRIGO L.; LIBERATO, MARCELO V.; HENRIQUE-SILVA, FLAVIO; PEREIRA, JR., NEI; POLIKARPOV, IGOR; SKAF, MUNIR S. X-ray Structure and Molecular Dynamics Simulations of Endoglucanase 3 from Trichoderma harzianum: Structural Organization and Substrate Recognition by Endoglucanases That Lack Cellulose Binding Module. PLoS One, v. 8, n. 3 MAR 14 2013. Web of Science Citations: 18.
TEXTOR, LARISSA C.; COLUSSI, FRANCIELI; SILVEIRA, RODRIGO L.; SERPA, VIVIANE; DE MELLO, BRUNO L.; MUNIZ, JOAO RENATO C.; SQUINA, FABIO M.; PEREIRA, JR., NEI; SKAF, MUNIR S.; POLIKARPOV, IGOR. Joint X-ray crystallographic and molecular dynamics study of cellobiohydrolase I from Trichoderma harzianum: deciphering the structural features of cellobiohydrolase catalytic activity. FEBS Journal, v. 280, n. 1, p. 56-69, JAN 2013. Web of Science Citations: 32.
AMATO, ANGELICA A.; RAJAGOPALAN, SENAPATHY; LIN, JEAN Z.; CARVALHO, BRUNO M.; FIGUEIRA, ANA C. M.; LU, JENNY; AYERS, STEPHEN D.; MOTTIN, MELINA; SILVEIRA, RODRIGO L.; SOUZA, PAULO C. T.; MOURAO, ROSA H. V.; SAAD, MARIO J. A.; TOGASHI, MARIE; SIMEONI, LUIZ A.; ABDALLA, DULCINEIA S. P.; SKAF, MUNIR S.; POLIKPARPOV, IGOR; LIMA, MARIA C. A.; GALDINO, SUELY L.; BRENNAN, RICHARD G.; BAXTER, JOHN D.; PITTA, IVAN R.; WEBB, PAUL; PHILLIPS, KEVIN J.; NEVES, FRANCISCO A. R. GQ-16, a Novel Peroxisome Proliferator-activated Receptor gamma (PPAR gamma) Ligand, Promotes Insulin Sensitization without Weight Gain. Journal of Biological Chemistry, v. 287, n. 33, p. 28169-28179, AUG 10 2012. Web of Science Citations: 53.
PUHL, ANA C.; BERNARDES, AMANDA; SILVEIRA, RODRIGO L.; YUAN, JING; CAMPOS, JESSICA L. O.; SAIDEMBERG, DANIEL M.; PALMA, MARIO S.; CVORO, ALEKSANDRA; AYERS, STEPHEN D.; WEBB, PAUL; REINACH, PETER S.; SKAF, MUNIR S.; POLIKARPOV, IGOR. Mode of Peroxisome Proliferator-Activated Receptor gamma Activation by Luteolin. MOLECULAR PHARMACOLOGY, v. 81, n. 6, p. 788-799, JUN 2012. Web of Science Citations: 53.
SILVEIRA, RODRIGO L.; MARTINEZ, JULIAN; SKAF, MUNIR S.; MARTINEZ, LEANDRO. Enzyme Microheterogeneous Hydration and Stabilization in Supercritical Carbon Dioxide. Journal of Physical Chemistry B, v. 116, n. 19, p. 5671-5678, MAY 17 2012. Web of Science Citations: 26.
BLEICHER, LUCAS; PRATES, ERICA T.; GOMES, THIAGO C. F.; SILVEIRA, RODRIGO L.; NASCIMENTO, ALESSANDRO S.; ROJAS, ADRIANA L.; GOLUBEV, ALEXANDER; MARTINEZ, LEANDRO; SKAF, MUNIR S.; POLIKARPOV, IGOR. Molecular Basis of the Thermostability and Thermophilicity of Laminarinases: X-ray Structure of the Hyperthermostable Laminarinase from Rhodothermus marinus and Molecular Dynamics Simulations. Journal of Physical Chemistry B, v. 115, n. 24, p. 7940-7949, JUN 23 2011. Web of Science Citations: 18.
Academic Publications
(References retrieved automatically from State of São Paulo Research Institutions)
SILVEIRA, Rodrigo Leandro. Molecular aspects of lignocellulosic biomass degradation : dynamics of enzymes and plant cell wall nanoarchitecture. 2014. Doctoral Thesis - Universidade Estadual de Campinas. Instituto de Química.

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