Search results for " SCR"

Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screening.

2015

In drug discovery the reliable prediction of binding free energies is of crucial importance. Methods that combine molecular mechanics force fields with continuum solvent models have become popular because of their high accuracy and relatively good computational efficiency. In this research we studied the performance of molecular mechanics generalized Born surface area (MM-GBSA), molecular mechanics Poisson-Boltzmann surface area (MM-PBSA), and solvated interaction energy (SIE) both in their virtual screening efficiency and their ability to predict experimentally determined binding affinities for five different protein targets. The protein-ligand complexes were derived with two different app…

Studio dell'attività biologica di metaboliti di Citrus spp. su Ceratitis capitata

2011

La mosca mediterranea della frutta, Ceratitis capitata (Wiedemann) (Diptera Tephritidae) è uno degli insetti maggiormente dannosi a livello mondiale. In anni recenti sono state condotte numerose ricerche sui semiochimici coinvolti nelle interazioni insetto-pianta ospite, avvalendosi di studi elettrofisiologici e comportamentali, con lo scopo di utilizzare le sostanze biologicamente attive eventualmente identificate in strategie di controllo innovative e sostenibili. È noto che i limoni non sono attaccati da C. capitata, molto probabilmente a causa degli oli essenziali dell’epicarpo, tossici per altre mosche della frutta. Nel presente lavoro sono state effettuate registrazioni elettrofisiolo…

I "mostri aberranti dell'irrealtà", la 'sfida' di Elsa Morante

2016

Lontano da ogni infingimento retorico lo scrittore-poeta «come i protagonisti dei miti, delle favole e dei misteri, deve attraversare la prova della realtà e dell’angoscia sino alla limpidezza della parola che lo libera e libera anche il mondo dai suoi mostri irreali», scrive Elsa Morante nel saggio, del 1957, dedicato ad Umberto Saba autore del Canzoniere, uno «Zodiaco meraviglioso in cui sono figurate tutte le costellazioni». (Morante 1957: 1492). L’aspirazione del poeta triestino a «liberare, con la forza dell’arte il mondo dai mostri irreali dell’autoinganno, della mistificazione» si rivela talmente consona alle ambizioni più profonde dell’ ‘avventura’ esistenziale e letteraria di Elsa …

A dynamic multiple receptor conformations (MD-MRC) approach to enhance early enrichment in virtual screening. A case study on PPAR-alpha

2016

Myotonic dystrophy: candidate small molecule therapeutics

2017

Myotonic dystrophy type 1 (DM1) is a rare multisystemic neuromuscular disorder caused by expansion of CTG trinucleotide repeats in the noncoding region of the DMPK gene. Mutant DMPK transcripts are toxic and alter gene expression at several levels. Chiefly, the secondary structure formed by CUGs has a strong propensity to capture and retain proteins, like those of the muscleblind-like (MBNL) family. Sequestered MBNL proteins cannot then fulfill their normal functions. Many therapeutic approaches have been explored to reverse these pathological consequences. Here, we review the myriad of small molecules that have been proposed for DM1, including examples obtained from computational rational …

Rates of Upper Facet Joint Violation in Minimally Invasive Percutaneous and Open Instrumentation: A Comparative Cohort Study of Different Insertion T…

2017

Background Minimally invasive pedicle screw placement may have a higher incidence of violation of the superior cephalad unfused facet joint. Study Aims We investigated the incidence and risk factors of upper facet joint violation in percutaneous robot-assisted instrumentation versus percutaneous fluoroscopy-guided and open transpedicular instrumentation. Methods A retrospective study including all consecutive patients who underwent lumbar instrumentation, fusion, and decompression for spondylolisthetic stenosis and degenerative disk disease was conducted between January 2012 and January 2016. All operations were performed by the same surgeon; the patients were divided into three groups acc…

Transverse fracture-dislocation of the sacrum: a diagnostic pitfall and a surgical challenge.

2002

Transverse fracture-dislocations of the sacrum are rare. Associated lesions of the lumbosacral spine as well as neurological injuries are common. Conventional radiographs of the pelvis often fail to clearly visualize the fracture. Delayed diagnosis increases the risk of progressive neurological disfunction. True lateral sacral views and CT-scans with 3-dimensional reconstructions are very helpful in establishing the full extent of the injury. These examinations should be considered in all patients with a history of high energy trauma and clinical signs indicating lumbosacral injury, such as severe low back pain and neurological disturbances of the lower extremities. The management of transv…

In vitro comparison of the efficacy of two fractured implant-prosthesis screw extraction methods: Conventional versus mechanical.

2019

Abstract Statement of problem Implant-supported prostheses may be subject to esthetic, biological, or mechanical complications. Protocols for dealing with these mechanical problems are sparse. Purpose The purpose of this in vitro study was to compare the efficacy of a mechanical system for extracting fractured implant-prosthesis screws with the conventional method. Material and methods A total of 60 screws were divided into 2 groups according to their morphology (flat screws with a smooth shaft and threaded apical area and screws with a completely threaded body) and subjected to fatiguing and static load testing until fracture. The specimens were assigned to 3 operators with varying levels …

A Locked Intraosseous Nail for Transverse Patellar Fractures: A Biomechanical Comparison with Tension Band Wiring Through Cannulated Screws.

2018

Background Displaced transverse patellar fractures require open reduction and internal fixation. State-of-the-art stabilization techniques are tension band wiring (TBW) using Kirschner wires or cannulated screws. These techniques are associated with high rates of secondary fracture displacement, implant migration, implant prominence, wound-healing disturbances, and the need for implant removal. Recently, a locked intraosseous patellar nail prototype was developed. The aim of the present study was to investigate the biomechanical performance of this nail compared with TBW using cannulated screws. Methods Seven paired fresh-frozen human cadaveric knees were stripped of all soft tissues except…

Correlation of Tibial Low-Frequency Ultrasound Velocity with Femoral Radiographic Measurements and BMD in Elderly Women

2009

The ultrasonic axial transmission technique has been proposed as a method for cortical bone characterization. Using a low enough center frequency, Lamb modes can be excited in long bones. Lamb waves propagate throughout the cortical bone layer, which makes them appealing for characterizing bone material and geometrical properties. In the present study, a prototype low-frequency quantitative ultrasonic axial transmission device was used on elderly women (n = 132) to investigate the relationships between upper femur geometry and bone mineral density (BMD) and tibial speed of sound. Ultrasonic velocities (V) were recorded using a two-directional measurement set-up on the midtibia and compared …