Fast and accurate identification of active compounds is essential for effective use of virtual screening workflows. Here, we have compared the ligand-ranking efficiency of the linear interaction energy (LIE) method against standard docking approaches. Using a trypsin set of 1549 compounds, we performed 12,250 molecular dynamics simulations. The LIE method proved effective but did not yield resu...

All urologists have faced patients suffering a renal cancer asking for the occurrence of the disease in their offspring and very often the answer to this question has not been well founded from the scientific point of view, and only in few cases a familial segregation tree is performed. The grate shift seen in the detection of small renal masses and renal cancer in the last decades will prompt ...

it is clear that colorectal cancer (crc) develops through multiple genetic and epigenetic pathways. these pathways may be determined on the basis of three molecular features: (i) mutations in dna mismatch repair genes, leading to a dna microsatellite instability (msi) phenotype, (ii) mutations in apc and other genes that activate wnt pathway, characterized by chromosomal instability (cin) pheno...

BACKGROUND We previously reported the preliminary findings from a feasibility study of bladder cancer (BCa) screening with urinary molecular markers (Bladder Cancer Urine Marker Project [BLU-P]) that has now been terminated. OBJECTIVE To report the final results from BLU-P to determine whether mass screening for BCa is feasible and useful. DESIGN, SETTING, AND PARTICIPANTS BLU-P was a Dutch...

Noggin (NOG) a BMP (bone morphogenetic protein) antagonist plays a key role in preferentially driving a subset of breast cancer cells towards the bone and causing osteolytic lesions leading to severe pain and discomfort in the patients. Owing to its role in bone metastasis, NOG could be promising molecular target in bone metastasis and that identifying small molecule inhibitors could aid in the...

Worldwide, colorectal cancer is diagnosed in f1 million individuals each year, accounting for >9% of all new cancer cases (1). Approximately 529,000 people worldwide die of this disease annually. In 2006, it is estimated that 146,000 cases of colorectal cancer will occur in the United States with 55,000 deaths (2). Colorectal cancer is an excellent candidate for population-based screening becau...

The menace of cervical cancer has reached an alarming rate. There are more than 450.000cases of cervical cancer yearly, with mortality rate of about 50%. This deadly cancer is causedby human papillomavirus (HPV), mainly subtypes 16 and 18. The pharmaceutical industryhas produced drug for combating the virus, known as SAHA (suberoylanilide hydroxamicacid). It inhibits class II HDAC Homo sapiens ...

OBJECTIVES We examined the prevalence of defects in arrhythmia-related candidate genes among patients with unexplained sudden cardiac death (SCD). BACKGROUND Patients with unexplained sudden death may constitute up to 5% of overall SCD cases. For such patients, systematic postmortem genetic analysis of archived tissue, using a candidate gene approach, may identify etiologies of SCD. METHODS...

Despite multiple screening techniques, including colonoscopy, flexible sigmoidoscopy, radiological imaging, and fecal occult blood testing, colorectal cancer remains a leading cause of death. As these techniques improve, their sensitivity to detect malignant lesions is increasing; however, detection of precursor lesions remains problematic and has generated a lack of general acceptance for thei...