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https://www.readbyqxmd.com/read/28723223/free-energy-of-binding-and-mechanism-of-interaction-for-the-meevd-tpr2a-peptide-protein-complex
#1
Mauro Lapelosa
The association between the MEEVD C-terminal peptide from the heat shock protein 90 (Hsp90) and tetratricopeptide repeat A (TPR2A) domain of the heat shock organizing protein (Hop) is a useful prototype to study the fundamental molecular details about the Hop-Hsp90 interaction. We study here the mechanism of binding/unbinding, and compute the standard binding free energy and potential of mean force for the association of the MEEVD peptide to the TPR2A domain using the Adaptive Biasing Force (ABF) methodology...
July 19, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28691197/loss-of-dcc-in-the-spinal-cord-is-sufficient-to-cause-a-deficit-in-lateralized-motor-control-and-the-switch-to-a-hopping-gait
#2
Jimmy Peng, Julien Ferent, Qingyu Li, Mingwei Liu, Ronan Vinicius da Silva, Hanns Ulrich Zeilhofer, Artur Kania, Ying Zhang, Frédéric Charron
BACKGROUND: Humans with heterozygous mutations in the axon guidance receptor DCC display congenital mirror movements (MMs), which are involuntary movements of body parts, such as fingers, on one side of the body that mirror voluntary movement of the opposite side. In mice, the homozygous Dcc(kanga) mutant allele causes synchronous MM-like hindlimb movements during locomotion, resulting in hopping. In both human and mice, the neuroanatomical defect responsible for the deficit in lateralized motor control remains to be elucidated...
July 10, 2017: Developmental Dynamics: An Official Publication of the American Association of Anatomists
https://www.readbyqxmd.com/read/28515972/determination-of-clinically-relevant-differences-in-frontal-plane-hop-tests-in-women-s-collegiate-basketball-and-soccer-players
#3
Kelly Hardesty, Eric J Hegedus, Kevin R Ford, Anh-Dung Nguyen, Jeffrey B Taylor
BACKGROUND: ACL injury prevention programs are less successful in female basketball players than in soccer players. Previous authors have identified anthropometric and biomechanical differences between the athletes and different sport-specific demands, including a higher frequency of frontal plane activities in basketball. Current injury risk screening and preventive training practices do not place a strong emphasis on frontal plane activities. The medial and lateral triple hop for distance tests may be beneficial for use in the basketball population...
April 2017: International Journal of Sports Physical Therapy
https://www.readbyqxmd.com/read/28473518/randomised-controlled-trial-evaluating-the-short-term-analgesic-effect-of-topical-diclofenac-on-chronic-achilles-tendon-pain-a-pilot-study
#4
Erin Rebecca Bussin, Brian Cairns, Jim Bovard, Alexander Scott
OBJECTIVES: To determine if a topically applied non-steroidal anti-inflammatory drug (diclofenac) can provide short-term pain relief for chronic Achilles tendinopathy (CAT), in order to inform the development of a new rehabilitation protocol. DESIGN AND SETTING: Pilot double-blind, cross-over randomised controlled trial providing participants with tertiary care. The study was conducted at a single research centre in Vancouver, BC. PARTICIPANTS: Sixteen adults with unilateral CAT and three adults with bilateral CAT participated...
May 4, 2017: BMJ Open
https://www.readbyqxmd.com/read/28459885/a-statistically-compiled-test-battery-for-feasible-evaluation-of-knee-function-after-rupture-of-the-anterior-cruciate-ligament-derived-from-long-term-follow-up-data
#5
Lina Schelin, Eva Tengman, Patrik Ryden, Charlotte Häger
PURPOSE: Clinical test batteries for evaluation of knee function after injury to the Anterior Cruciate Ligament (ACL) should be valid and feasible, while reliably capturing the outcome of rehabilitation. There is currently a lack of consensus as to which of the many available assessment tools for knee function that should be included. The present aim was to use a statistical approach to investigate the contribution of frequently used tests to avoid redundancy, and filter them down to a proposed comprehensive and yet feasible test battery for long-term evaluation after ACL injury...
2017: PloS One
https://www.readbyqxmd.com/read/28459575/7-substituted-2-nitro-5-6-dihydroimidazo-2-1-b-1-3-oxazines-novel-antitubercular-agents-lead-to-a-new-preclinical-candidate-for-visceral-leishmaniasis
#6
Andrew M Thompson, Patrick D O'Connor, Andrew J Marshall, Vanessa Yardley, Louis Maes, Suman Gupta, Delphine Launay, Stephanie Braillard, Eric Chatelain, Scott G Franzblau, Baojie Wan, Yuehong Wang, Zhenkun Ma, Christopher B Cooper, William A Denny
Within a backup program for the clinical investigational agent pretomanid (PA-824), scaffold hopping from delamanid inspired the discovery of a novel class of potent antitubercular agents that unexpectedly possessed notable utility against the kinetoplastid disease visceral leishmaniasis (VL). Following the identification of delamanid analogue DNDI-VL-2098 as a VL preclinical candidate, this structurally related 7-substituted 2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine class was further explored, seeking efficacious backup compounds with improved solubility and safety...
May 25, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28428033/a-critical-analysis-of-limb-symmetry-indices-of-hop-tests-in-athletes-after-anterior-cruciate-ligament-reconstruction-a-case-control-study
#7
A Gokeler, W Welling, A Benjaminse, K Lemmink, R Seil, S Zaffagnini
BACKGROUND: Hop tests are frequently used to determine return to sports (RTS) after anterior cruciate ligament reconstruction (ACLR). Given that bilateral deficits are present after ACLR, this may result in a falsely high limb symmetry index (LSI), since LSI is calculated as a ratio between the values of the limbs. HYPOTHESIS: Athletes after ACLR would achieve LSI>90% for the hop test. Secondly, athletes after ACLR demonstrate decreased jump distance on the single hop for distance (SLH) and triple leg hop for distance (TLH) and decreased number of hops for the side hop (SH) for both involved and uninvolved limbs compared to normative data of sex, age and type of sports matched healthy athletes...
April 17, 2017: Orthopaedics & Traumatology, Surgery & Research: OTSR
https://www.readbyqxmd.com/read/28370430/reversible-folding-of-a-%C3%AE-hairpin-peptide-by-a-metal-chelating-amino-acid
#8
Jan Reutzel, Timm M Diogo, Armin Geyer
5-(1-Hydroxy-pyridin-2(1H)-onyl)-l-alanine (Hop) is a N-hydroxy-1,2-pyridone functionalized α-amino acid with the desired metal-chelating properties of DOPA (3,4-dihydroxy phenylalanine) but without its unwanted redox activity. The Fmoc-protected amino acid Fmoc-l-Hop(tBu)-OH (11) was synthesized from glycine phosphonate followed by enzymatic hydrolysis of the methyl ester yielding the Hop l-isomer in 96 % ee. The amino acid 11 is used in automated peptide synthesis for the assembly of a 14mer β-hairpin peptide with the sequence [dsb(1, 14) ]H-CHXETGKHGHKLVC-OH (X=W, l-Hop)...
April 3, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28361285/evaluation-of-lower-limb-kinetics-during-gait-sprint-and-hop-tests-before-and-after-anterior-cruciate-ligament-reconstruction
#9
Joaquín Moya-Angeler, Javier Vaquero, Francisco Forriol
BACKGROUND: The purpose of this study was to evaluate the functional status prior to and at different times after anterior cruciate ligament reconstruction (ACLR), and to analyze the changes in the kinetic patterns of the involved and uninvolved lower limb during gait, sprint and three hop tests. MATERIALS AND METHODS: Seventy-four male patients with an ACL injury were included in the study. All patients performed a standardized kinetic protocol including gait, sprint and three hop tests (single-leg hop, drop vertical jump and vertical jump tests), preoperatively and at 3, 6, and 12 months after ACLR with a semitendinosus gracilis tendon autograft...
June 2017: Journal of Orthopaedics and Traumatology: Official Journal of the Italian Society of Orthopaedics and Traumatology
https://www.readbyqxmd.com/read/28301433/a-comparison-of-bilateral-muscular-imbalance-ratio-calculations-using-functional-tests
#10
Theodoros M Bampouras, Susan Dewhurst
Bilateral muscular imbalance can increase the risk of injury and negatively impact sporting performance. Bilateral muscular imbalances are typically calculated as ((side 1-side 2)/reference value) x 100, to provide a percentage value of the difference between limbs. Using different numerator (right-left or strong-weak) or reference values (left, right, strong, weak, average of the two) could mask or inflate the true difference value. The present study aimed to compare the bilateral muscular imbalance ratio calculations, using the absolute difference between limbs as the numerator and the five different options as reference values...
March 13, 2017: Journal of Strength and Conditioning Research
https://www.readbyqxmd.com/read/28270021/tropomyosin-receptor-kinase-inhibitors-an-updated-patent-review-for-2010-2016-part-ii
#11
REVIEW
Justin J Bailey, Ralf Schirrmacher, Kristen Farrell, Vadim Bernard-Gauthier
TrkA/B/C receptor activation supports growth, survival, and differentiation of discrete neuronal populations during development, adult life, and ageing but also plays numerous roles in human disease onset and progression. Trk-specific inhibitors have therapeutic applications in cancer and pain and thus constitute a growing area of interest in oncology and neurology. There has been substantial growth in the number of structural classes of Trk inhibitors and the number of industrial entrants to the Trk inhibitor field over the past six years...
July 2017: Expert Opinion on Therapeutic Patents
https://www.readbyqxmd.com/read/28245409/-abnormal-notch-hes-signaling-pathways-and-acute-leukemia-review
#12
Zhen-Yang Gu, Li Wang, Chun-Ji Gao
The abnormal activation of Notch signaling is closely related to the development of acute leukemia (AL). The core elements of the Notch signaling system include Notch receptors, Notch ligands, CSL DNA-binding proteins, and effectors like target genes. Any factors, which affect ligands, receptors, signal transducers and effectors, can influence the signal transduction of Notch signaling greatly. Based on the role of Notch signaling in AL, several targeted drugs against Notch upstream signaling have been developed...
February 2017: Zhongguo Shi Yan Xue Ye Xue za Zhi
https://www.readbyqxmd.com/read/28192831/training-effects-of-the-fifa-11-and-harmoknee-on-several-neuromuscular-parameters-of-physical-performance-measures
#13
RANDOMIZED CONTROLLED TRIAL
Francisco Ayala, Carlos Pomares-Noguera, Francisco Javier Robles-Palazón, Maria Del Pilar García-Vaquero, Ignacio Ruiz-Pérez, Sergio Hernández-Sánchez, Mark De Ste Croix
The main purpose of this study was to analyse the training effects of the FIFA 11+ and Harmoknee on several parameters of physical performance measures in youth amateur football players. 41 adolescent players were randomised within each team into 2 groups (team 1: control vs. FIFA 11+; team 2: control vs. Harmoknee). The FIFA 11+ and Harmoknee groups performed the program 3 times a week for 4 weeks; the control groups completed their usual warm-up routines. 13 physical performance measures (joint range of motion, dynamic postural control, single legged hop limb symmetry, sprint time, jumping height and agility) were assessed...
April 2017: International Journal of Sports Medicine
https://www.readbyqxmd.com/read/28186834/elevated-knee-joint-kinetics-and-reduced-ankle-kinetics-are-present-during-jogging-and-hopping-after-achilles-tendon-ruptures
#14
Richard W Willy, Annelie Brorsson, Hayley C Powell, John D Willson, Roy Tranberg, Karin Grävare Silbernagel
BACKGROUND: Deficits in plantarflexor function are common after an Achilles tendon rupture. These deficits may result in an altered distribution of joint loads during lower extremity tasks. HYPOTHESIS: We hypothesized that, regardless of treatment, the Achilles tendon-ruptured limb would exhibit deficits in ankle kinematics and joint power while exhibiting elevated knee joint power and patellofemoral joint loads during walking, jogging, and hopping. We further hypothesized that this loading pattern would be most evident during jogging and hopping...
April 2017: American Journal of Sports Medicine
https://www.readbyqxmd.com/read/28146394/functional-performance-among-active-female-soccer-players-after-unilateral-primary-anterior-cruciate-ligament-reconstruction-compared-with-knee-healthy-controls
#15
Anne Fältström, Martin Hägglund, Joanna Kvist
BACKGROUND: Good functional performance with limb symmetry is believed to be important to minimize the risk of injury after a return to pivoting and contact sports after anterior cruciate ligament reconstruction (ACLR). PURPOSE: This study aimed to investigate any side-to-side limb differences in functional performance and movement asymmetries in female soccer players with a primary unilateral anterior cruciate ligament (ACL)-reconstructed knee and to compare these players with knee-healthy controls from the same soccer teams...
February 2017: American Journal of Sports Medicine
https://www.readbyqxmd.com/read/28054115/-risk-and-benefit-of-nutritional-supplements-for-the-treatment-of-postmenopausal-complaints
#16
Patrick Diel, Anne Kurrat, Christina Oden, Lars Hanke
Menopause is for many females associated with an occurrence of a variety of health complaints and a decrease in quality in life. Hot flashes, sleep disturbances and a variety of other symptoms result in a strong psychological strain. Hormone replacement therapy for treatment of climacteric complaints is discussed controversially regarding associated side effects. This is a major reason to propose treatment with plant derived extracts and compounds as an alternative. Such compounds are available either as drugs but mostly as nutritional supplements...
January 4, 2017: Bundesgesundheitsblatt, Gesundheitsforschung, Gesundheitsschutz
https://www.readbyqxmd.com/read/28045144/adsorbate-interactions-on-the-gan-0001-surface-and-their-effect-on-diffusion-barriers-and-growth-morphology
#17
Manjusha Chugh, Madhav Ranganathan
Studying the adsorbate interactions on a surface helps in understanding the growing surface morphologies and calculating the effective surface diffusion barriers. We study the interaction between Ga-Ga, N-N and Ga-N adatom pairs on the polar GaN(0001) surface using ab initio calculations based on density functional theory. The interaction energy between two adatoms on the surface does not seem to follow definite trends with increasing distance between the adatoms. The presence of a number of possible reconstructions on clean GaN(0001) and periodic effects due to the finite size complicate the analysis of the interactions...
January 18, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28038341/standing-balance-and-inter-limb-balance-asymmetry-at-one-year-post-primary-anterior-cruciate-ligament-reconstruction-sex-differences-in-a-cohort-study-of-414-patients
#18
Ross A Clark, Stuart W Bell, Julian A Feller, Timothy S Whitehead, Kate E Webster
BACKGROUND: Static standing balance can be safely assessed early following anterior cruciate ligament reconstruction (ACLR), and deficits may have important implications for long-term outcomes. This study includes a large cohort of people post-ACLR and has the primary aim of establishing whether inter-limb and sex differences exist, with a secondary aim of assessing the association between static balance variables and other outcome measures. METHODS: A total of 414 patients with a primary ACLR performed a 30-s static single leg balance test...
February 2017: Gait & Posture
https://www.readbyqxmd.com/read/28036030/xanthohumol-a-prenylated-chalcone-from-hops-inhibits-the-viability-and-stemness-of-doxorubicin-resistant-mcf-7-adr-cells
#19
Ming Liu, Hua Yin, Xiaokun Qian, Jianjun Dong, Zhonghua Qian, Jinlai Miao
Xanthohumol is a unique prenylated flavonoid in hops (Humulus lupulus L.) and beer. Xanthohumol has been shown to possess a variety of pharmacological activities. There is little research on its effect on doxorubicin-resistant breast cancer cells (MCF-7/ADR) and the cancer stem-like cells exiting in this cell line. In the present study, we investigate the effect of xanthohumol on the viability and stemness of MCF-7/ADR cells. Xanthohumol inhibits viability, induces apoptosis, and arrests the cell cycle of MCF-7/ADR cells in a dose-dependent manner; in addition, xanthohumol sensitizes the inhibition effect of doxorubicin on MCF-7/ADR cells...
December 28, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27998667/validity-and-reliability-of-a-novel-instrumented-one-legged-hop-test-in-patients-with-knee-injuries
#20
Karin Mani, William F Brechue, Bernd Friesenbichler, Nicola A Maffiuletti
BACKGROUND: Conventional one-legged hop tests simply evaluate the total hop distance, thus neglecting important temporal and spatial parameters related to the strategy of execution, such as foot contact time. AIM: To examine the validity and reliability of an instrumented one-legged hop test, the "four hops, three contacts" (4H3C) test, in patients with knee injuries. METHODS: The 4H3C test consists of four consecutive one-legged hops, of which individual hop distance and foot contact time are recorded by a validated floor-based photocell system...
December 17, 2016: Knee
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