9 documents found, page 1 of 1

Purification, biochemical characterization, and amino acid sequence of a novel ...

A new lectin from Aplysia dactylomela eggs (ADEL) was isolated by affinity chromatography on HClactivated Sepharose™ media. Hemagglutination caused by ADEL was inhibited by several galactosides, mainly galacturonic acid (Ka = 6.05 × 106 M−1 ). The primary structure of ADEL consists of 217 residues, including 11 halfcystines involved in five intrachain and one interchain disulfide bond, resulting in a molecular ...

Molecular fractionation with conjugate caps study of the interaction of the ana...

Objective: The objective of this study was to use the molecular fractionation with conjugate caps (MFCC) method to elucidate the possible interaction mechanism of anacardic acid (AA) with the saturated alkyl chain (AA0) in the Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase (TcGAPHD) enzyme. Methods: Initially, the geometry optimization of the AA three-dimensional structure (with the pentadecyl chain...

An ab initio explanation of the activation and antagonism strength of an AMPA-s...

We report quantum biochemistry calculations focusing on the binding pocket of the glutamate receptor co-crystallized with agonists (full and partial) and a antagonist. The calculated electronic binding energy follows the order AMPA . glutamate. kainate . DNQX, which explains published experimental data on GluR2 activation and antagonism strength.

Explaining RANKL inhibition by OPG through quantum biochemistry computations an...

Osteoporosis is a degenerative disease associated with excessive bone resorption, a natural process performed by osteoclasts. In turn, osteoclast maturation is critically regulated by the receptor activator of nuclear factor kB ligand (RANKL), its signalling receptor (RANK), and its decoy receptor osteoprotegerin (OPG). The critical role of the protein triad, RANK–RANKL–OPG, in osteoclastogenesis has made their...

Angiotensin converting enzyme regulates cell proliferation and migration

Quantum molecular modelling of ibuprofen bound to human serum albumin

The binding of the nonsteroidal anti-inflammatory drug ibuprofen (IBU) to human serum albumin (HSA) is investigated using density functional theory (DFT) calculations within a fragmentation strategy. Crystallographic data for the IBU–HSA supramolecular complex shows that the ligand is confined to a large cavity at the subdomain IIIA and at the interface between the subdomains IIA and IIB, whose binding sites ar...

Trypanocidal activity of mastoparan from Polybia paulista wasp venom by interac...

Made available in DSpace on 2018-11-28T21:36:47Z (GMT). No. of bitstreams: 0 Previous issue date: 2017-10-01; Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq); FUNCAP; Chagas disease, considered a neglected disease, is a parasitic infection caused by Trypanosoma cruzi, which is endemic throughout the world. Previously, the antimicrobial effect of Mastoparan (MP) from Polybia paulista wasp ve...

Antimicrobial effect of Dinoponera quadriceps (Hymenoptera: Formicidae) venom a...

Aims: Dinoponera quadriceps venom (DqV) was examined to evaluate the antibacterial activity and its bactericidal action mechanism against Staphylococcus aureus. Methods and Results: DqV was tested against a standard strain of methicillinsensitive Staphylococcus aureus (MSSA), Staph. aureus ATCC 6538P and two standard strains of methicillin-resistant Staphylococcus aureus (MRSA), Staph. aureus ATCC 33591 and Sta...

Transientes ultra-rápidos de transporte em plasmas semicondutores submetidos a ...

Orientador: Roberto Luzzi; Tese (doutorado) - Universidade Estadual de Campinas, Instituto de Fisica Gleb Wataghin; Resumo: Utilizando uma Teoria Não-linear de Transporte obtido do operador estatístico de não-equilibrio de Zubarev, obtém-se as equações que governam a evolução do estado de não-equilibrio de semicondutores polares de gap direto altamente fotoexcitados submetidos a intensos campos elétricos contín...