Abstract:
:A series of emodin analogues have been demonstrated to exhibit potent antiproliferative activity in three human epidermal growth factor receptor 2 (HER2)‑overexpressing cell lines. However, in docking simulations, not all of these emodin analogues docked into the HER2 protein binding site. As the epidermal growth factor receptor (EFGR) and HER2 proteins are members of the ErbB family, the present study aimed to determine whether these anthraquinone derivatives exhibit potent antitumour bioactivity due to their inhibition of EGFR protein. Two 2D quantitative structure‑activity relationship (QSAR) models, applied using multiple linear regression and a support vector machine, indicated seven representative molecular descriptors of anthraquinone derivatives associated with their antitumour activities. Molecular docking simulation indicated the possible docking poses of binding in the EGFR kinase domain. Two 3D‑QSAR models performed by comparative force field analysis and comparative similarity indices analysis indicated the favoured and disfavoured fields for four physicochemical parameters (steric and hydrophobic properties, and hydrogen bond donor and acceptor), which may further improve the antitumour properties. These results demonstrate the benefits of further investigations on the development of lead compounds with improved anticancer bioactivity.
journal_name
Int J Mol Medjournal_title
International journal of molecular medicineauthors
Chen KC,Juang SH,Lien JCdoi
10.3892/ijmm.2019.4066subject
Has Abstractpub_date
2019-03-01 00:00:00pages
1281-1288issue
3eissn
1107-3756issn
1791-244Xjournal_volume
43pub_type
杂志文章abstract::The commercial use of epidermal growth factor (EGF) is extensive and has been shown to be effective for skin wound healing in clinical practice. There is evidence to indicate that the topical administration of EGF significantly accelerates re-epithelialization by promoting keratinocyte mitogenesis and migration follow...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2017.2911
更新日期:2017-04-01 00:00:00
abstract::Apoptosis plays a critical role in the pathogenesis of chronic myocardial ischemia (CMI) and heart failure (HF). Endoplasmic reticulum stress (ERS) is one of the newly defined signaling pathways which initiate apoptosis. Previous studies have shown that ERS-associated apoptosis is involved in the pathogenesis of HF in...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2011.612
更新日期:2011-04-01 00:00:00
abstract::Human T cell leukemia virus type 1 (HTLV-1) is an oncogenic retrovirus. It can cause adult T cell leukemia (ATL) and other diseases. The HTLV-1 basic leucine zipper (bZIP) factor (HBZ), which is encoded by the minus-strand of the provirus, is expressed in all cases of ATL and involved in T cell proliferation. However,...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2017.2868
更新日期:2017-03-01 00:00:00
abstract::ARHGAP1, ARHGAP2, ARHGAP3, ARHGAP4, ARHGAP5, ARHGAP6, ARHGAP7 (DLC1), ARHGAP8, ARHGAP9, ARHGAP10, ARHGAP12, ARHGAP13 (SRGAP1), ARHGAP14 (SRGAP2), ARHGAP15, ARHGAP17 (RICH1), ARHGAP18, ARHGAP19, ARHGAP20, ARHGAP21, ARHGAP22, ARHGAP23, ARHGAP24, ARHGAP25, ARHGAP26, STARD13 (DLC2), HA-1, GMIP, PARG1, RACGAP1, PIK3R1, PIK...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:
更新日期:2004-11-01 00:00:00
abstract::Rats exposed from 7 weeks after birth and for the ensuing 3 to 7 months to a diet depleted in long-chain polyunsaturated omega3 fatty acids were recently proposed as a new animal model for the metabolic syndrome. The present study aimed mainly at investigating whether, in this new model, the perturbation of the fatty ...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:
更新日期:2009-08-01 00:00:00
abstract::Osteosarcoma is the most common primary malignancy of bone in teenagers and approximately 30% of patients develop lung metastasis, which is the leading cause of mortality. Recent studies suggest that the Ezrin protein is correlated with the metastatic potential of several malignant ...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2012.1111
更新日期:2012-11-01 00:00:00
abstract::The presence of cells positive for cytokeratins or prostate-specific antigen (PSA) in bone marrow aspirates (BMAs) has been used to indicate the presence of micrometastasis. The aim of this prospective study of prostate cancer patients was to determine the presence of prostate cells in blood and BMAs and to compare th...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2012.1071
更新日期:2012-10-01 00:00:00
abstract::Safe, affordable and efficacious agents are urgently required for cancer prevention. Sesamin, a lipid‑soluble lignan from sesame (Sesamum indicum) displays anticancer activities through an unknown mechanism. In the present study, the anticancer activity of sesamin via cyclooxygenase 2 (COX2) was investigated in lung c...
journal_title:International journal of molecular medicine
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doi:10.3892/ijmm.2018.3939
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abstract::Adult mesenchymal progenitor cells (MPCs) are adherent stromal cells of non-haematopoietic origin derived from bone marrow and other tissues. Upon limited in vitro expansion, they retain their self-renewal capacity as well as their potential to differentiate into tissues of mesenchymal lineage, such as bone, cartilage...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm_00000188
更新日期:2009-06-01 00:00:00
abstract::Astrocytes are major components of the adult neurogenic niche and play a crucial role in regulating neural stem cell proliferation and differentiation. Following brain injury, astrocytes become reactive and release high-mobility group box 1 (HMGB1), which plays a crucial role in the inflammatory process. However, alth...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2014.1820
更新日期:2014-09-01 00:00:00
abstract::The molecular mechanisms mediating mercury‑induced neurotoxicity are not yet completely understood. Thus, the aim of this study was to investigate whether the severity of MeHg‑ and HgCl2‑mediated cytotoxicity to SH‑SY5Y human dopaminergic neurons can be attenuated by regulating glutamate‑mediated signal‑transmission t...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2017.2937
更新日期:2017-05-01 00:00:00
abstract::The isolation of rare cells, such as fetal nucleated red blood cells and trophoblasts, from maternal blood for non-invasive prenatal diagnosis is a new field of research exhibiting several difficulties since this strategy requires unresolved basic technological protocols for a successful outcome. However, several achi...
journal_title:International journal of molecular medicine
pub_type: 杂志文章,评审
doi:
更新日期:2008-01-01 00:00:00
abstract::Chondrocyte senescence is associated with the aging and degeneration of cartilage, and eventually leads to joint destruction. The aim of this study was to elucidate the mechanisms responsible for the cytoprotective effects of heme oxygenase‑1 (HO‑1) on chondrocytes in cartilage. Chondrocyte senescence was induced usin...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2014.1918
更新日期:2014-11-01 00:00:00
abstract::Uterine leiomyomas are benign smooth muscle cell tumors originating from the myometrium. The present study focused on leiomyoma and myometrium phosphoproteome enrichment by using immobilized metal affinity chromatography (IMAC). The phosphoproteome was analyzed by two‑dimensional gel electrophoresis coupled with mass ...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2019.4377
更新日期:2019-12-01 00:00:00
abstract::Members of the basic helix-loop-helix (bHLH) family of transcription factors have been implicated in the regulation of cell proliferation and differentiation. Here we describe molecular characterization of mesoderm-specific bHLH protein, POD-1/Capsulin. Northern blot analysis showed that POD-1/Capsulin are preferentia...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.5.1.27
更新日期:2000-01-01 00:00:00
abstract::Group B streptococci (GBS) are the most common cause of pneumonia and sepsis during the neonatal period. However, the pathogenesis of invasive infection is poorly understood. We investigated the ability of GBS grown at 37 degrees C and 40 degrees C to adhere and invade human umbilical vein endothelial cells (HUVECs) a...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm_00000493
更新日期:2010-10-01 00:00:00
abstract::The present study aimed to explore the underlying mechanisms of bone morphogenetic protein 2 (BMP2) in alleviating intervertebral disc degeneration (IDD). A rat puncture IDD model was constructed, and the rats were randomly divided into six groups: Control; IDD (model); IDD+PBS [containing 1010 adeno‑associated virus ...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2018.3972
更新日期:2019-01-01 00:00:00
abstract::Aromatic turmerone (ar-turmerone) has been reported to have a cytotoxic effect on L-1210 and HL-60 cells. In the present study, we investigated the anticancer responses and immune activities in implanted tumor cells. Our study found that ar-turmerone inhibited the increase in the nu...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2012.1196
更新日期:2013-02-01 00:00:00
abstract::The aim of this study was to evaluate in detail the histopathological characteristics of endarterectomized carotid atherosclerotic lesions in symptomatic versus asymptomatic patients. Twenty carotid lesions, 10 from asymptomatic and 10 from symptomatic patients who underwent carotid endarterectomy were classified acco...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2013.1401
更新日期:2013-08-01 00:00:00
abstract::Zinc has been shown to have an inhibitory effect on osteoclastic bone resorption in vitro. This study was undertaken to determine whether the inhibitory action of zinc on osteoclastogenesis is related to receptor activator of NF-kappaB ligand (RANKL), which plays a pivotal role in differentiation from pre-osteoclasts ...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:
更新日期:2004-07-01 00:00:00
abstract::We examined whether generation of H2O2 is a critical event for the apoptotic pathway upstream of mitochondrial involvement and caspase-3 protease activation. Perylquinone photosensitizers such as Hypocrellin A (HA), Hypocrellin B (HB) and Hypericin (HY) induced activation of caspase-3 and apoptosis upon photoactivatio...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:
更新日期:2002-05-01 00:00:00
abstract::Whether or not nutritionally-regulated foreign gene expression in vivo is achievable was examined in mouse liver after in vivo gene transfer by electroporation (EP). Electric pulses were applied to a left liver lobe immediately after injection of a luciferase reporter gene driven by the liver-type phosphoenolpyruvate ...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.7.1.61
更新日期:2001-01-01 00:00:00
abstract::A 36 kDa extracellular metalloprotease (designated to as vEP-MO6) was purified and characterized from Vibrio vulnificus sp. strain MO6 24/0. vEP-MO6 cleaved azocasein and a few other proteins such as prothrombin, plasminogen, fibrinogen and Factor Xa, which are associated with the blood coagulation pathway. The enzyme...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:
更新日期:2007-01-01 00:00:00
abstract::Peritoneal fibrosis is a major complication of continuous ambulatory peritoneal dialysis (CAPD). The present study tested the hypothesis that ADP-ribose polymerase-1 (PARP-1) may play a role in peritoneal epithelial-mesenchymal transition and fibrosis under high glucose conditions. High glucose (126 mmol/l)-induced pe...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2011.859
更新日期:2012-03-01 00:00:00
abstract::Polysialic acid (PSA) is highly expressed during embryonic development, but barely expressed during postnatal development, and may be 're-expressed' in cancer tissues. In this study, motility and migration assays were performed to compare the changes in cell behavior between non-malignant and maligant cells. Next, the...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2015.2395
更新日期:2016-01-01 00:00:00
abstract::Choroidal neovascularization (CNV) can lead to progressive and severe visual loss. Vascular endothelial growth factor (VEGF) promotes the development of CNV. Caffeic acid phenethyl ester (CAPE), a biologically active component of the honeybee (Apis mellifera) propolis, has been demonstrated to have several interesting...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm.2015.2116
更新日期:2015-05-01 00:00:00
abstract::β‑catenin/CTNNB1 is an intracellular scaffold protein that interacts with adhesion molecules (E‑cadherin/CDH1, N‑cadherin/CDH2, VE‑cadherin/CDH5 and α‑catenins), transmembrane‑type mucins (MUC1/CD227 and MUC16/CA125), signaling regulators (APC, AXIN1, AXIN2 and NHERF1/EBP50) and epigenetic or transcriptional regulator...
journal_title:International journal of molecular medicine
pub_type: 杂志文章,评审
doi:10.3892/ijmm.2018.3689
更新日期:2018-08-01 00:00:00
abstract::Phellinus linteus is a well-known Oriental medicinal fungus that has various biological activities, including immunomodulatory and anti-tumor activities, the mechanisms of which are poorly understood. In the present study, we investigated the effects of mycelium extracts of P. linteus (MEPL) on the growth of human neu...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:
更新日期:2004-08-01 00:00:00
abstract::In our previous study, the proliferation rate of esophageal squamous cell carcinoma cell lines, which poorly expressed p21Waf1, was found to be regulated by p21Waf1 gene transfection using adenovirus vector. In the present study, in order to examine the effect of p21Waf1 gene therapy in esophageal cancer, we used gene...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:
更新日期:2004-10-01 00:00:00
abstract::Neovascularization occurring in atherosclerotic plaque leads to acceleration of plaque growth through increased leukocyte infiltration and reactive oxygen species (ROS) production. Sema4D (CD100), a class IV semaphorin, not only plays a crucial role in axon guidance but also functions in the neovascularization process...
journal_title:International journal of molecular medicine
pub_type: 杂志文章
doi:10.3892/ijmm_00000432
更新日期:2010-07-01 00:00:00