Search results for "Bioinformatic"

2-[(1-Methyl-1H-pyrrol-2-yl)carbonyl-meth-yl]isoindoline-1,3-dione.

2009

The asymmetric unit of the title compound, C15H12N2O3, contains two almost identical molecules forming an nearly C2-symmetric dimeric pattern. The dihedral angles between the pyrrole ring and the phthalimide unit are 82.95 (8) and 86.57 (8)° for the two molecules. Within such a dimer, the phthalimide units of the two molecules form a dihedral angle of 1.5 (5)°.

6-Amino-1-benzyl-4-(4-chloro-phen-yl)-3-(4-pyrid-yl)-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile.

2008

The crystal structure of the title compound, C25H18ClN5O, was determined in the course of our studies on the synthesis of 1,4-dihydropyrano[2,3-c]pyrazole as an inhibitor of the p38 mitogen-activated protein kinase (MAPK). The compound was prepared via a base-catalysed synthesis from 1-benzyl-3-(4-pyridyl)-1H-pyrazol-5(4H)-one with p-chloroaldehyde and malononitrile. The crystal data obtained were used to generate a three-dimensional pharmacophore model for in silico database screening. The phenyl ring is disordered over two positions, with site occupancy factors of 0.55 and 0.45. The dihedral angles between the 1,4-dihydropyrano[2,3-c]pyrazole unit and the chlorophenyl and pyridine rings a…

A triclinic polymorph of (−)-(S)-N-benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide

2013

The title salt, C18H21FNO2+·Br−, determined at 115 K, crystallizes in the triclinic space groupP1. The previously reported polymorph occurs in the monoclinic space groupP21and has two independent molecules in the asymmetric unit [Peeterset al.(1993).Acta Cryst.C49, 2157–2160]. In the title molecule, the pyran rings adopt half-chair conformations. The absolute configuration isSfor the hydroxy-bearing C atom andRfor the asymmetric C atom in the dihydropyran unit. In the crystal, the components are linked by N—H...Br and O—H...Br hydrogen bonds, forming chains along thec-axis direction. The crystal studied was refined as an inversion twin.

2-(Mesitylmethylsulfanyl)pyridine N-oxide monohydrate

2008

In the title compound, C15H17NOS·H2O, the benzene and pyridine rings form a dihedral angle of 71.18 (2)°. The intramolecular S...O distance [2.737 (3) Å] is shorter than expected and, in terms of hybridization principles, the N—C—S angle [114.1 (2)°] is smaller than expected. The crystal structure is stabilized by intermolecular O—H...O and weak C—H...O hydrogen bonds. In addition, weak π–π stacking interactions with a centroid–centroid distance of 3.778 (3) Å are also observed.

Identification and validation of novel molecules obtained by integrated computational and experimental approaches for the read-through of PTCs in CF …

2015

MicroRNA Profile in Response to Doxorubicin Treatment in Breast Cancer

2015

UNLABELLED Chemotherapy treatment is the standard in triple negative breast cancers, a cancer subgroup which lacks a specific target. The mechanisms leading to the response, as well as any markers that allow the differentiation between responder and non-responder groups prior to treatment are unknown. In parallel, miRNAs can act as oncogenes or tumor suppressors and there is evidence of their involvement in promoting resistance to anticancer drugs. Therefore we hypothesized that changes in miRNA expression after doxorubicin treatment may also be relevant in treatment response. OBJECTIVE To study miRNAs that are differentially expressed in response to doxorubicin treatment. METHODS One lumin…

Clinical Course and Significance of the Novel FLT3-Y842C Mutation in a Patient with AML Treated with PKC412 Monotherapy.

2004

Abstract We recently identified a novel mutation (Y842C) within the tyrosine kinase domain of FLT3 in a patient treated with PKC410 monotherapy (ASH 2003, # 4681). Here, we present follow up studies including the clinical course of the patient and frequency analysis in 110 patients with AML. In addition, we characterized the novel mutation using overexpression of FLT3-Y842C in 32D cells. AML M2 was diagnosed in a 63 year old, male patient in 1993. After having experienced his second relapse upon standard therapy the patient was refractory to alemtuzumab treatment. Due to reduced performance status the patient was not eligible to standard chemotherapy and was enrolled into a phase II trial i…

Mitosis Inhibitors and Medicinal Plants: Neurotoxicity and Neuroprotection

2021

Cancer is one of the devastating diseases worldwide, causing desperate outcomes and high mortality rates. Despite undeniable improvements in cancer treatment, many patients with malignancies still suffer from adverse drug reactions, among which peripheral neurotoxicity holds great importance. Peripheral neuropathy as a representation of peripheral neurotoxicity is a usual complication of chemotherapy, reducing the life quality of individuals since it can adversely induce sensory and motor dysfunctions influencing patients’ life. Mitosis inhibitors are substantially administered drugs during chemotherapy. However, these drugs may induce the occurrence of chemotherapy-induced peripheral neuro…

Coping strategies and locus of control in childhood leukemia: a multi-center research

2015

Acute lymphoblastic leukemia (ALL) is a very distressing experience for children and requires a special effort of adjustment. Therefore, it seems to be crucial to explore coping resources for the experienced risk condition. In this sense, the study focuses on coping strategies and locus of control in children with ALL during the treatment phase, and on their possible relation. The correlation between children and maternal coping strategies is also investigated. The participants involved were an experimental group of 40 children with ALL and their mothers, and 30 healthy children as the control group. The tools used were: the Child Behavioral Style Scale and the Monitor-Blunter Style Scale t…

Automatic detection of large dense-core vesicles in secretory cells and statistical analysis of their intracellular distribution.

2010

Analyzing the morphological appearance and the spatial distribution of large dense-core vesicles (granules) in the cell cytoplasm is central to the understanding of regulated exocytosis. This paper is concerned with the automatic detection of granules and the statistical analysis of their spatial locations in different cell groups. We model the locations of granules of a given cell as a realization of a finite spatial point process and the point patterns associated with the cell groups as replicated point patterns of different spatial point processes. First, an algorithm to segment the granules using electron microscopy images is proposed. Second, the relative locations of the granules with…