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

• Grant number: 10/08680-2
• Support Opportunities: Scholarships in Brazil - Doctorate
• Start date: August 01, 2010
• End date: April 30, 2014
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Munir Salomao Skaf
• Grantee: Rodrigo Leandro Silveira
• Host 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

Abstract

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. (08/56255-9, 10/08680-2, 09/54035-4)

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. (10/08680-2, 09/54035-4, 08/56255-9, 09/11536-3)

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.; et al. 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. (10/08680-2, 09/14108-2, 10/17048-8)

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. (10/08680-2, 11/20505-4, 09/11536-3, 09/54035-4, 08/56255-9)

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. (09/54035-4, 08/56255-9, 10/08680-2)

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. (10/08680-2, 09/14107-6, 10/18849-4, 10/16947-9)

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; et al. Mode of Peroxisome Proliferator-Activated Receptor gamma Activation by Luteolin. MOLECULAR PHARMACOLOGY, v. 81, n. 6, p. 788-799, JUN 2012. (10/08680-2)

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. (10/08680-2, 10/16947-9)

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. (09/54035-4, 10/08680-2)

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 (UNICAMP). Instituto de Química Campinas, SP.