Antigenic peptide molecular recognition by the DRB1–DQB1 haplotype modulates multiple sclerosis susceptibility

A Kumar, P Melis, V Genna, E Cocco… - Molecular …, 2014 - pubs.rsc.org
Multiple sclerosis (MS) is an autoimmune disease of the central nervous system that has a
notably high incidence in Sardinia. Our study focuses on two HLA class II haplotypes …

Molecular recognition between volatile molecules and odorant binding proteins 7 by homology modeling, molecular docking and molecular dynamics simulation

R Wang, L Duan, B Zhao, Y Zheng… - Journal of the Science of …, 2024 - Wiley Online Library
BACKGROUND Odorant‐binding proteins (OBPs) in insects are key to detection and
recognition of external chemical signals associated with survival. OBP7 in Spodoptera …

Structural analysis of viral infectivity factor of HIV type 1 and its interaction with A3G, EloC and EloB

KS da Costa, E Leal, AM dos Santos, AH Lima e Lima… - PLoS …, 2014 - journals.plos.org
Background The virion infectivity factor (Vif) is an accessory protein, which is essential for
HIV replication in host cells. Vif neutralizes the antiviral host protein APOBEC3 through …

Computational and experimental studies of the interaction between phospho-peptides and the C-terminal domain of BRCA1

VM Anisimov, A Ziemys, S Kizhake, Z Yuan… - Journal of computer …, 2011 - Springer
The C-terminal domain of BRCA1 (BRCT) is involved in the DNA repair pathway by
recognizing the pSXXF motif in interacting proteins. It has been reported that short peptides …

Analysis of adaptation mutants in the hemagglutinin of the influenza A (H1N1) pdm09 virus

A Jiménez-Alberto, E Alvarado-Facundo… - PloS one, 2013 - journals.plos.org
Hemagglutinin is the major surface glycoprotein of influenza viruses. It participates in the
initial steps of viral infection through receptor binding and membrane fusion events. The …

Targeting peptidyl-prolyl cis-trans isomerase NIMA-interacting 1: a structure-based virtual screening approach to find novel inhibitors

KS da Costa, JM Galúcio, DA de Jesus… - … -Aided Drug Design, 2020 - ingentaconnect.com
Background: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Pin1) is an enzyme that
isomerizes phosphorylated serine or threonine motifs adjacent to proline residues. Pin1 has …

Structural and functional analysis of Campylobacter jejuni PseG: a udp-sugar hydrolase from the pseudaminic acid biosynthetic pathway

ES Rangarajan, A Proteau, Q Cui, SM Logan… - Journal of biological …, 2009 - ASBMB
Flagella of the bacteria Helicobacter pylori and Campylobacter jejuni are important virulence
determinants, whose proper assembly and function are dependent upon glycosylation at …

The molecular basis of IGF-II/IGF2R recognition: a combined molecular dynamics simulation, free-energy calculation and computational alanine scanning study

J Guo, X Wang, H Sun, H Liu, X Yao - Journal of molecular modeling, 2012 - Springer
Insulin-like growth factor-II (IGF-II) is a key regulator of cell growth, survival, migration and
differentiation, and is thus pivotal in many cancers. An individual with a high IGF-II level is at …

Exploring the structural basis of the selective inhibition of monoamine oxidase A by dicarbonitrile aminoheterocycles: Role of Asn181 and Ile335 validated by …

J Juárez-Jiménez, E Mendes, C Galdeano… - … et Biophysica Acta (BBA …, 2014 - Elsevier
Since cyanide potentiates the inhibitory activity of several monoamine oxidase (MAO)
inhibitors, a series of carbonitrile-containing aminoheterocycles was examined to explore …

Computational determination of binding structures and free energies of phosphodiesterase-2 with benzo [1, 4] diazepin-2-one derivatives

B Yang, A Hamza, G Chen, Y Wang… - The Journal of Physical …, 2010 - ACS Publications
Phosphodiesterase-2 (PDE2) is a key enzyme catalyzing hydrolysis of both cyclic adenosine
monophosphate (cAMP) and cyclic guanosine monophosphate (cGMP) that serve as …