Abstract：
:Schistosomiasis, a disease caused by helminth parasites of genus Schistosoma. Its treatment intensively depends on single drug, praziquantel which increases the risk of development of drug-resistant parasite. Inhibitors of human HDAC are profoundly reported as novel anti-cancer drugs and used as new anit-parasitic agents. Schistosoma monsoni class I HDACs are expressed in all stages of life cycle and indicating that this enzyme is most likely a major target for the designing specific inhibitors. In order to find novel target for the treatment of Schistosomiasis, three dimensional structure of SmHDAC1 was generated, using homology modelling. Features of the generated structure, was then deduced with respect to conformation of peptide backbone, local compatibility of the generated structure in terms of energy and molecular dynamics study. Considering these features of the generated structure, we selected all the class 1 inhibitors reported so far, which showed interactions with HDACs. Virtual screening was done using reported inhibitors (70) and using SmHDAC1 and HsHDAC1 as the targets. On the basis of binding affinity and IC50 value, 24th ligand was selected for the molecular docking purpose. In this study, out of all the reported inhibitors, 24th inhibitor (N,8-dihydroxy-8-(naphthalen-2-yl) octanamide zinc id- ZINC13474421) showed better binding with SmHDAC1 (-8.1 kcal/mol) as compared to HsHDAC1 (-6.4 kcal/mol) in terms of binding energy and supported by IC50 value. This paper throws light on the reliable model for further structure based drug designing, concerning SmHDAC1 of S. mansoni. Molecular docking studies highlighted advantages of comparative in silico interaction studies of SmHDAC1 and HsHDAC1. N,8-dihydroxy-8-(naphthalen-2-yl) octanamide can further use for the clinical trial.
journal_name
Mol Biol Repjournal_title
Molecular biology reportsauthors
Singh R,Pandey PNdoi
10.1007/s11033-014-3816-zsubject
Has Abstractpub_date
2015-03-01 00:00:00pages
689-98issue
3eissn
0301-4851issn
1573-4978journal_volume
42pub_type
杂志文章abstract：:The Cdx-2 polymorphism in VDR gene has been extensively investigated for association with cancer risk, however, results of different studies have been inconsistent. The objective of this study is to assess the relationship of the Cdx-2 polymorphism in VDR and cancer risk by meta-analysis. All eligible case-control stu...
journal_title：Molecular biology reports
pub_type： 杂志文章,meta分析
doi：10.1007/s11033-013-2503-9
更新日期：2013-07-01 00:00:00
abstract：:The glycosylation of UDP-glucosyltransferases (UGTs) is of great importance in the control and elimination of both endogenous and exogenous toxins. Bm-UGT10286 (UGT86) is the sole provider of UGT activity against the 5-O position of quercetin and directly influences the formation of green pigment in the Bombyx cocoon....
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-012-2437-7
更新日期：2013-05-01 00:00:00
abstract：:Spata34 is a testis-specific-expressed gene which exerts diverse functions in testis development. This study intends to examine the expression profiles of Spata34 in postnatal rat testis, and explore its potential roles in cell proliferation in vitro. We found that the mRNA and protein expression levels of Spata34 wer...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-018-4439-6
更新日期：2018-12-01 00:00:00
abstract：:α-Synuclein is a presynaptic neuronal protein that is abundant in the human brain and is linked genetically and neuropathologically to Parkinson's disease (PD). The E46K mutation of the α-synuclein gene has been linked to autosomal dominant early-onset of PD. Crocin is a carotenoid chemical compound of saffron that ha...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-019-04882-9
更新日期：2019-08-01 00:00:00
abstract：:Previous studies from our group have brought forward the concept of angiogenic regeneration during radiotherapy (RT), as a major cause of RT failure. This process was examined herein in rectal cancer patients undergoing preoperative chemo-radiotherapy. Out of 25 patients with stage II/III rectal adenocarcinoma, 15 had...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-019-04668-z
更新日期：2019-04-01 00:00:00
abstract：:Replication of the influenza virus strains Influenza Ao/WSN (H0N1), fowl plague (Hav1N1) and B-Lee/40 (ATCC) and the paramyxovirus, New Castle disease virus (Victoria) are highly sensitive to human interferon type alpha in Madin Darby bovine kidney cells. Pretreatment of cells with human interferon type alpha resulted...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/BF00775982
更新日期：1985-10-01 00:00:00
abstract：:To determine whether methylenetetrahydrofolate reductase (MTHFR) C677T and A1298C polymorphisms are associated with pre-eclampsia susceptibility. Literature searches of the Pubmed, Embase, BIOSIS Previews and Web of Science were conducted to identify all eligible articles up to January 18th, 2013. The pooled odds rati...
journal_title：Molecular biology reports
pub_type： 杂志文章,meta分析
doi：10.1007/s11033-014-3415-z
更新日期：2014-08-01 00:00:00
abstract：:In individuals with diabetes, a log linear relationship exists between cholesterol levels and cardiovascular disease. Type 2 diabetes (T2D) and Statins, a cholesterol lowering drug, have a complex relationship. Statins are potent modulators of CYP3A4 2 enzyme and endothelial nitric oxide synthase (eNOS) functions in a...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-014-3557-z
更新日期：2014-10-01 00:00:00
abstract：:Movement assisted by muscles forms the basis of various behavioural traits seen in Drosophila. Myogenesis involves developmental processes like cellular specification, differentiation, migration, fusion, adherence to tendons and neuronal innervation in a series of coordinated event well defined in body space and time....
journal_title：Molecular biology reports
pub_type： 杂志文章,评审
doi：10.1007/s11033-020-06006-0
更新日期：2020-12-01 00:00:00
abstract：:Characterization of molecular markers and the development of better assays for precise and rapid detection of domestic species are always in demand. This is particularly due to recent food scares and the crisis of biodiversity resulting from the huge ongoing illegal traffic of endangered species. The aim of this study...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-010-0509-0
更新日期：2011-08-01 00:00:00
abstract：:The plasticity of the central nervous system helps form the basis for the neurobiology of learning and memory. Long-term potentiation (LTP) is the main form of synaptic plasticity, reflecting the activity level of the synaptic information storage process, and provides a good model to study the underlying mechanisms of...
journal_title：Molecular biology reports
pub_type： 杂志文章,评审
doi：10.1007/s11033-010-0128-9
更新日期：2011-01-01 00:00:00
abstract：:Coactivator CBP (CREB-binding protein) has been implicated in the regulation of transcription for all signal transducer and activator of transcription factors (STATs); however, the mechanism remains unclear. Using yeast two-hybrid screening and immunoprecipitation techniques, we investigated the direct interaction of ...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-010-0622-0
更新日期：2011-10-01 00:00:00
abstract：:Chrysanthemum indicum L. is a traditional oriental medicinal herb prepared as a tea from flowers that have been used in China and South Korea since ancient times. It has a long history in the treatment of hypertension, inflammation, and respiratory diseases. Among Chrysanthemum species, C. indicum has more active chem...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-020-05844-2
更新日期：2020-10-01 00:00:00
abstract：:While there have been more and more studies concerning mitogen-activated protein kinases (MAPKs) signaling pathways, which control many cellular complex programmes, such as cell proliferation, differentiation, cell death and embryogenesis. However, few studies are carried out about expression and activation of classic...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-010-0178-z
更新日期：2011-02-01 00:00:00
abstract：:Bone abnormalities as a consequence of osteoblast deregulation are associated with several diseases such as diabetes and chronic kidney disease. Important role for oxidized low density lipoproteins (oxLDL) in the pathophysiology of bone disorders has been reported. However, little is known about the effects and mechan...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-019-04735-5
更新日期：2019-06-01 00:00:00
abstract：:Chromatin from guinea pig hepatocytes has been studied by electron microscopy using the spreading technique. Among DNP fibers with nucleosomal organization numerous structures with different organization have been observed. The structures consist of the main axial fiber from which the lateral fibrils branch off normal...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/BF00775408
更新日期：1980-10-31 00:00:00
abstract：:CyclinD1 over-expression is the key pathogenetic event underlying airway smooth muscle (ASM) proliferation. Human antigen R (HuR) is a ubiquitously expressed RNA-binding protein, and is known to regulate the expression of multiple cell cycle regulators. The aim of the study is to investigate whether HuR might also be ...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-011-1392-z
更新日期：2012-05-01 00:00:00
abstract：AIM:To study the function of the prodomain of ADAM17 (TACE) and to develop an approach for interfering with inflammation processes. METHOD:The expression plasmids of the TACE ectodomain (T1300), prodomain (T591), signal peptide and prodomain (T648), full length (T2472), and the turncated TACE without prodomain (T57-T1...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-008-9224-5
更新日期：2009-04-01 00:00:00
abstract：:One of the major limitations when attempting to obtain detailed biochemical, biophysical and immunological characterization of plant DNA mismatch repair proteins is their extremely low abundance in vivo under normal growth conditions. An initial analysis of PMS1 transcript level in various Arabidopsis thaliana tissues...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-010-0203-2
更新日期：2011-02-01 00:00:00
abstract：:Methicillin resistant Staphylococcus aureus (MRSA) is one of the challenging bacterial pathogen due to its acquired resistance to the β lactam antibiotics. The Sortase A is an enzyme of Gram-positive bacteria including S. aureus to anchor surface proteins to the cell wall. Sortase A is well studied enzyme and consider...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-014-3384-2
更新日期：2014-08-01 00:00:00
abstract：:MicroRNAs (miRNAs) are small non-coding RNAs that function in transcriptional and post-transcriptional regulation of gene expression. Several miRNAs have been implicated in regulating prostate cancer (PCa) progression. Deregulations of miRNA regulatory networks have been reported in ERG positive PCa, which accounts fo...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-016-3948-4
更新日期：2016-04-01 00:00:00
abstract：:The beta class of the carbonic anhydrase (CA) enzyme family has been found in plants, yeast, bacteria and algae, but not in animals. Also, little is known concerning the CAs of C. elegans. Genes possibly encoding beta-CAs were revealed by in silico analysis of the C. elegans genome. Amino acid sequence and 3D structur...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-009-9857-z
更新日期：2010-07-01 00:00:00
abstract：:Sensitivity to phenylthiocarbamide (PTC) has a bimodal distribution pattern and the genotype of the TAS2R38 gene, which is composed of combinations of three coding single nucleotide polymorphisms (SNPs), p.A49P (c.145G>C), p.V262A (c.785T>C) and p.I296 V (c.886A>G), determines the ability or inability to taste PTC. In...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-013-3002-8
更新日期：2014-03-01 00:00:00
abstract：:Recent reports on various cancer models demonstrate a great potential of cytosine deaminase/5-fluorocytosine suicide system in cancer therapy. However, this approach has limited success and its application to patients has not reached the desirable clinical significance. Accordingly, the improvement of this suicide sys...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-017-4113-4
更新日期：2017-08-01 00:00:00
abstract：:The purpose of this study was to assess the value of cytokeratin 19 (CK19) and matrix metalloproteinase 2 (MMP-2) in predicting lymph node metastasis (LNM) and survival after curative resection in hepatocellular carcinoma (HCC) patients. Expression of CK19 and MMP-2 in tumor tissue was assessed through immunohistochem...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-010-0463-x
更新日期：2011-06-01 00:00:00
abstract：:Haemoglobin meseenger RNA was isolated from spleen erythroïd cells of anaemic rabbits. The mRNA fraction looks quite homogeneous when analyzed by sucrose gradient centrifugation; it sediments in the 9S region. When added to an ascites cell free system, spleen 9S RNA stimulates the incorporation of radioactive leucine ...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/BF00357405
更新日期：1973-06-01 00:00:00
abstract：:The aim of this work was to sequence the promoter region of β-lactoglobulin (BLG) gene in four sheep breeds, in order to identify polymorphisms, infer and analyze haplotypes, and phylogenetic relationship among the Valle del Belice breed and the other three breeds considered as ancestors. Sequencing analysis and align...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-011-0794-2
更新日期：2012-01-01 00:00:00
abstract：:Through the process of alternative splicing, proteins with distinct biological functions and localisations are generated from a single gene. The mitochondrial folate metabolism enzyme methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) has been receiving attention in recent years as one of the most frequently upregulat...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-020-05775-y
更新日期：2020-09-01 00:00:00
abstract：:Current surgical reconstruction for soft tissue replacement involves lipotransfer to restore soft tissue replacements but is limited by survival and longevity of the fat tissue. Alternative approaches to overcome these limitations include using biodegradable scaffolds with stem cells with growth factors to generate so...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-020-05297-7
更新日期：2020-03-01 00:00:00
abstract：:The binding characteristics of the interaction between 3-(2-cyanoethyl) cytosine (CECT) and human serum albumin (HSA) were investigated using fluorescence, UV absorption spectroscopic and molecular modeling techniques under simulative physiological conditions. The intrinsic fluorescence intensity of HSA was decreased ...
journal_title：Molecular biology reports
pub_type： 杂志文章
doi：10.1007/s11033-012-1855-x
更新日期：2012-11-01 00:00:00
