Abstract:
:Apolipoprotein E4 (Apo E4) is the major genetic risk factor in the causation of Alzheimer's disease (AD). In this study we utilize virtual screening of the world's largest traditional Chinese medicine (TCM) database and investigate potential compounds for the inhibition of ApoE4. We present the top three TCM candidates: Solapalmitine, Isodesacetyluvaricin, and Budmunchiamine L5 for further investigation. Dynamics analysis and molecular dynamics (MD) simulation were used to simulate protein-ligand complexes for observing the interactions and protein variations. Budmunchiamine L5 did not have the highest score from virtual screening; however, the dynamics pose is similar to the initial docking pose after MD simulation. Trajectory analysis reveals that Budmunchiamine L5 was stable over all simulation times. The migration distance of Budmunchiamine L5 illustrates that docked ligands are not variable from the initial docked site. Interestingly, Arg158 was observed to form H-bonds with Budmunchiamine L5 in the docking pose and MD snapshot, which indicates that the TCM compounds could stably bind to ApoE4. Our results show that Budmunchiamine L5 has good absorption, blood brain barrier (BBB) penetration, and less toxicity according to absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction and could, therefore, be safely used for developing novel ApoE4 inhibitors.
journal_name
Biomed Res Intjournal_title
BioMed research internationalauthors
Huang HJ,Chen HY,Lee CC,Chen CYdoi
10.1155/2014/452625subject
Has Abstractpub_date
2014-01-01 00:00:00pages
452625eissn
2314-6133issn
2314-6141journal_volume
2014pub_type
杂志文章abstract::Dengue fever, a reemerging disease, is putting nearly 2.5 billion people at risk worldwide. The number of infections and the geographic extension of dengue fever infection have increased in the past decade. The disease is caused by the dengue virus, a flavivirus that uses mosquitos Aedes sp. as vectors. The disease ha...
journal_title:BioMed research international
pub_type: 杂志文章,评审
doi:10.1155/2014/825039
更新日期:2014-01-01 00:00:00
abstract::Cancer related fatigue (CRF) is a common and debilitating symptom that can influence quality of life (QoL) in cancer patients. The increase in survival times stresses for a better understanding of how CRF affects patients' QoL. This was a cross-sectional descriptive study with 148 randomly recruited prostate cancer pa...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2016/3989286
更新日期:2016-01-01 00:00:00
abstract::Hypertrophic cardiomyopathy (HCM) is an autosomal dominant disease characterized by variable expressivity, age penetrance, and a high heterogeneity. The transcriptional profile (miRNAs, mRNAs), epigenetic modifications, and posttranslational modifications seem to be highly relevant for the onset of the disease. miRNAs...
journal_title:BioMed research international
pub_type: 杂志文章,评审
doi:10.1155/2015/983290
更新日期:2015-01-01 00:00:00
abstract::Feature selection has become the essential step in biomarker discovery from high-dimensional genomics data. It is recognized that different feature selection techniques may result in different set of biomarkers, that is, different groups of genes highly correlated to a given pathological condition, but few direct comp...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2013/387673
更新日期:2013-01-01 00:00:00
abstract:Background:Spinal cord injury (SCI) is often associated with long-term impairments related to functional limitations in the sensorimotor system. The use of virtual reality (VR) technology may lead to increased motivation and engagement, besides allowing a wide range of possible tasks/exercises to be implemented in reha...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2019/7106951
更新日期:2019-11-13 00:00:00
abstract::Coronary CT angiography (CCTA) has become an important noninvasive imaging modality in the diagnosis of coronary artery disease (CAD). CCTA enables accurate evaluation of coronary artery stenosis. However, CCTA provides limited information on the physiological significance of stenotic lesions. A noninvasive "one-stop-...
journal_title:BioMed research international
pub_type: 杂志文章,评审
doi:10.1155/2015/435737
更新日期:2015-01-01 00:00:00
abstract:BACKGROUND:In Mexico and other developing countries, few reports of the survival of children with acute leukaemia exist. Objective. We aimed at comparing the disease-free survival of children with acute myeloid leukaemia who, in addition to being treated with the Latin American protocol of chemotherapy and an autologou...
journal_title:BioMed research international
pub_type: 临床试验,杂志文章
doi:10.1155/2015/940278
更新日期:2015-01-01 00:00:00
abstract::Coronary artery diseases (CAD) and heart failure have high mortality rate in the world, although much progress has been made in this field in last two decades. There is still a clinical need for a novel diagnostic approach and a therapeutic strategy to decrease the incidence of CAD. MicroRNAs (miRNAs) are highly conse...
journal_title:BioMed research international
pub_type: 杂志文章,评审
doi:10.1155/2015/682857
更新日期:2015-01-01 00:00:00
abstract::[This corrects the article DOI: 10.1155/2017/8193821.]. ...
journal_title:BioMed research international
pub_type: 已发布勘误
doi:10.1155/2017/6418529
更新日期:2017-01-01 00:00:00
abstract::Hilar cholangiocarcinoma (HCC) remains one of the most difficult tumors to stage and treat. The aim of the study was to assess the diagnostic efficiency of computed tomography (CT), magnetic resonance imaging (MRI), and positron emission tomography/computer tomography (PET/CT) in evaluating the resectability of HCC. A...
journal_title:BioMed research international
pub_type: 杂志文章,meta分析,评审
doi:10.1155/2015/497942
更新日期:2015-01-01 00:00:00
abstract::Viral infections result in millions of deaths in the world today. A thorough analysis of virus-host interactomes may reveal insights into viral infection and pathogenic strategies. In this study, we presented a landscape of virus-host interactomes based on protein domain interaction. Compared to the analysis at protei...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2014/867235
更新日期:2014-01-01 00:00:00
abstract::The aim of this study was to examine whether dexmedetomidine improves acute liver injury in a rat model. Twenty-eight male Wistar albino rats weighing 300-350 g were allocated randomly to four groups. In group 1, normal saline (NS) was injected into the lungs and rats were allowed to breathe spontaneously. In group 2,...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2014/621827
更新日期:2014-01-01 00:00:00
abstract::Schistosomiasis is the most prevalent tropical disease in the world after malaria. According to the World Health Organization, the disease afflicts more than 240 million people in about 80 countries. Recently, an epidemiological surveillance study performed between 1997 and 2010 by the European Network for Tropical Me...
journal_title:BioMed research international
pub_type: 杂志文章,评审
doi:10.1155/2017/8257310
更新日期:2017-01-01 00:00:00
abstract:Objectives:Assessing the therapeutic efficacy of superparamagnetic iron oxide nanoparticles (SPIO) labeled bone marrow-derived mesenchymal stem cells (BM-MSCs) on experimental liver fibrosis and associated dysplasia. Materials and Methods:MSCs were obtained from 10 male Sprague-Dawley rats while 50 female rats were di...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2019/5376165
更新日期:2019-11-06 00:00:00
abstract::Autophagy, a lysosomal catabolic pathway for long-lived proteins and damaged organelles, is crucial for cell homeostasis, and survival under stressful conditions. During starvation, autophagy is induced in numerous organisms ranging from yeast to mammals, and promotes survival by supplying nutrients and energy. In the...
journal_title:BioMed research international
pub_type: 杂志文章,评审
doi:10.1155/2014/701064
更新日期:2014-01-01 00:00:00
abstract::Colorectal cancer, a malignant neoplasm that occurs in the colorectal mucosa, is one of the most common types of gastrointestinal cancer. Colorectal cancer has been studied extensively, but the molecular mechanisms of this malignancy have not been characterized. This study identified and verified core genes associated...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2020/8082697
更新日期:2020-05-08 00:00:00
abstract:OBJECTIVE:To determine the histopathological differences after varicocele repair in testicular tissue in males with nonobstructive azoospermia. METHODS:Between 2009 and 2014, 45 men with complete azoospermia and palpable varicocele, presenting with primary infertility of at least 1 year, undergoing varicocele repair a...
journal_title:BioMed research international
pub_type: 临床试验,杂志文章
doi:10.1155/2015/709452
更新日期:2015-01-01 00:00:00
abstract::Artery calcification is a well-recognized predictor of late atherosclerotic complications. In the intima media, calcification starts with apoptosis of vascular smooth muscle cells (VSMCs) and the release of calcifying matrix vesicles with diameter of 0.5-15 μm that can be observed microscopically. In complicated plaqu...
journal_title:BioMed research international
pub_type: 杂志文章,评审
doi:10.1155/2017/7463590
更新日期:2017-01-01 00:00:00
abstract::Autism spectrum disorder (ASD) is a type of neurodevelopmental disorder with core impairments in the social relationships, communication, imagination, or flexibility of thought and restricted repertoire of activity and interest. In this work, a new computer aided diagnosis (CAD) of autism based on electroencephalogra...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2017/9816591
更新日期:2017-01-01 00:00:00
abstract::Exposure to a variety of environmental factors such as salinity, drought, metal toxicity, extreme temperature, air pollutants, ultraviolet-B (UV-B) radiation, pesticides, and pathogen infection leads to subject oxidative stress in plants, which in turn affects multiple biological processes via reactive oxygen species ...
journal_title:BioMed research international
pub_type: 杂志文章,评审
doi:10.1155/2019/9732325
更新日期:2019-05-08 00:00:00
abstract::The discovery of evolutionarily conserved Atg genes required for autophagy in yeast truly revolutionized this research field and made it possible to carry out functional studies on model organisms. Insects including Drosophila are classical and still popular models to study autophagy, starting from the 1960s. This rev...
journal_title:BioMed research international
pub_type: 杂志文章,评审
doi:10.1155/2014/273473
更新日期:2014-01-01 00:00:00
abstract::Since the discovery of JAK2V617F tyrosine kinase-activating mutation, several genes have been found mutated in myeloproliferative neoplasms (MPNs). FLT3-ITD, NPM1, and DNMT3A mutations frequently occurred in AML patients and have been found conferred with myeloproliferative neoplasms in mouse model. Therefore, we soug...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2014/485645
更新日期:2014-01-01 00:00:00
abstract::Recombinant adeno-associated virus (AAV) vectors are powerful tools for both basic neuroscience experiments and clinical gene therapies for neurological diseases. Intravascularly administered self-complementary AAV9 vectors can cross the blood-brain barrier. However, AAV9 vectors are of limited usefulness because they...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2013/974819
更新日期:2013-01-01 00:00:00
abstract:Design:From July 2016 to June 2018, 36 women with symptomatic early pregnancy around 4-8 weeks of gestation were recruited into the study. Among them, there were 16 women with viable intrauterine pregnancy (VIP), 9 women with spontaneous abortion (SA), and 11 women of EP. Serum exosomal miRNAs were extracted and measur...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2020/3521859
更新日期:2020-06-11 00:00:00
abstract::Hydrocephalus is a common neurological condition that can have traumatic ramifications and can be lethal without treatment. Nowadays, during therapy radiologists have to spend a vast amount of time assessing the volume of cerebrospinal fluid (CSF) by manual segmentation on Computed Tomography (CT) images. Further, som...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2019/3059170
更新日期:2019-07-07 00:00:00
abstract::The aim of this study was to evaluate whether blood transfusions affect overall survival (OS) and progression-free survival (PFS) in newly diagnosed multiple myeloma (MM) patients without hematopoietic stem cell transplantation. A total of 181 patients were enrolled and divided into two groups: 68 patients in the tran...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2017/5462087
更新日期:2017-01-01 00:00:00
abstract::Tripartite Motif Containing 11 (TRIM11), an E3 ubiquitin ligase, is identified as a carcinogen causing certain human cancers. However, the specific role of TRIM11 is still uncovered in human osteosarcoma (OS) cells. To explore the role of TRIM11 in OS cells, TRIM11 was induced by silencing and overexpression in OS cel...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2019/9612125
更新日期:2019-12-25 00:00:00
abstract::Quantitative magnetic resonance imaging (qMRI) is a promising approach to detect early cartilage degeneration. However, there is no consensus on which cartilage component contributes to the tissue's qMRI signal properties. T1, T1ρ, and T2⁎ maps of cartilage samples (n = 8) were generated on a clinical 3.0-T MRI system...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2018/9460456
更新日期:2018-05-15 00:00:00
abstract::Canine mammary gland tumor (CMT) is the most common tumor in intact female dog. Zerumbone (ZER) has promising anticancer properties, but plagued with poor water solubility, poor absorption, bioavailability, and delivery to target tissues. To solubilize, ZER was loaded into nanostructured lipid carrier (NLC) to produce...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2018/8691569
更新日期:2018-10-15 00:00:00
abstract::Bones are the most frequent site for breast cancer cells to settle and spread (metastasise); bone metastasis is considered to have a substantial impact on the quality of patients with common cancers. However, majority of breast cancers develop insensitivity to conventional chemotherapy which provides only palliation a...
journal_title:BioMed research international
pub_type: 杂志文章
doi:10.1155/2014/391869
更新日期:2014-01-01 00:00:00