Abstract:
:A. baumannii has been considered as Priority-I as suggested by the World Health Organization (WHO) and the most critical pathogenic microorganism for causing nosocomial infection in imunno-compromised hospital-acquired patients due to multi-drug resistance (MDR). In the current study, we utilized "Computer-aided ligand-based virtual screening approach" for identification of promising molecules against Mur family proteins based on the known inhibitor (Naphthyl Tetronic Acids ((5Z)-3-(4-chlorophenyl)-4-hydroxy-5-(1-naphthylmethylene) furan-2(5H)-one)) of MurB from E. coli. The in-house library was prepared using a similarity search of a known inhibitor (Drug Bank ID: DB07296) against several relevant chemical databases. The molecules obtained from virtual screening of Naphthyl Tetronic Acids in-house library were successively subjected to physicochemical and ADMET screening. After this, the molecules which passed all the filters, subsequently subjected into interaction analysis with the drug target proteins (MurB, MurD, MurE and MurG) of A. baumanni and the results explained that four molecules were promising (CHEMBL468144, DB07296, Enamine_T5956969 and 54723243) for further molecular dynamics simulations. The free and ligand bounded proteins that undergone MD simulation are listed as follows: MurB, MurB-CHEMBL468144, MurB-DB07296, MurE, MurE-54723243, MurE-DB07296, MurD, MurD-Enamine_T5956969, MurD-DB07296, MurG, MurG-CHEMBL468144, and MurG-DB07296. Based on global and essential dynamics analysis, the stability order of molecules towards MurB (CHEMBL468144 > DB07296); MurD (Enamine_T5956969 > DB07296); MurE (54723243 > DB07296) and MurG (CHEMBL468144 > DB07296) indicates that the newly identified molecules are more promising one in comparison with the existing inhibitor. Based on all the docking and MD simulation results, the stability order of the free and ligand bounded protein are as follows; MurB and MurB-ligand complexes > MurD and MurD-ligand complexes > MurG and MurG-ligand complexes > MurE and MurE-ligand complexes. Finally, the selected compounds would be recommended for further experimental investigations and used as promising inhibitors of the infection caused by A. baumannii.
journal_name
Microb Pathogjournal_title
Microbial pathogenesisauthors
Amera GM,Khan RJ,Pathak A,Jha RK,Muthukumaran J,Singh AKdoi
10.1016/j.micpath.2020.104205subject
Has Abstractpub_date
2020-10-01 00:00:00pages
104205eissn
0882-4010issn
1096-1208pii
S0882-4010(20)30492-7journal_volume
147pub_type
杂志文章abstract::Streptococcus suis is an important pathogen in swine, and it also represents an emerging zoonotic agent. Zebrafish as a model for the evaluation of virulence of S. suis has been demonstrated before. Here, an Affymetrix Zebrafish GeneChip was used to identify alterations in gene expression of zebrafish injected with S....
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2010.02.007
更新日期:2010-05-01 00:00:00
abstract::The addition of maltose to the growth media of Actinobacillus pleuropneumonia (serotype 1) resulted in the induction of an outer membrane protein (OMP) with a molecular mass of 42 kDa. This protein had porin-like properties in that it was peptidoglycan-associated and was resistant to proteolysis by trypsin. A pleuropn...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/0882-4010(89)90084-3
更新日期:1989-06-01 00:00:00
abstract::Identification of mycobacterial adhesins is needed to understand better the pathogenesis of tuberculosis and to develop new strategies to fight this infection. In this work, THP-1 monocytic cells were incubated with Mycobacterium tuberculosis culture filtrate proteins labelled with biotin and a dominant 19-kDa adhesin...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2005.06.002
更新日期:2005-09-01 00:00:00
abstract::Poultry meat is a major vector for Campylobacter jejuni foodborne illness. Since C. jejuni is microaerophillic, the cell counts gradually decreased during distribution and display under aerobic condition. However, if the pathogen can resist to aerobic condition, it may cause serious problem in food safety. This study ...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2019.05.020
更新日期:2019-09-01 00:00:00
abstract:INTRODUCTION:Tuberculosis (TB) is considered as a serious complication for organ transplant recipients; therefore, the detection and appropriate treatment of latent infection are recommended for preventing active TB infections in the future. The objective of this review is to conduct a systematic review and meta-analys...
journal_title:Microbial pathogenesis
pub_type: 杂志文章,meta分析
doi:10.1016/j.micpath.2018.09.040
更新日期:2018-12-01 00:00:00
abstract:BACKGROUND:Host factors such as hormones are known to modulate growth, virulence and antibiotic susceptibility of bacteria. In the present study, the effect of norepinephrine (NE) and estradiol (Est) on growth and expression levels of virulence genes (usp, sfa/foc, cnf1, aer) of uropathogenic E. coli (UPEC) strains C7 ...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2019.05.019
更新日期:2019-07-01 00:00:00
abstract::Mycobacterium tuberculosis genome encodes several high and low molecular mass penicillin binding proteins. One such low molecular mass protein is DacB2 encoded by open reading frame Rv2911 of M. tuberculosis which is predicted to play a role in peptidoglycan synthesis. In this study we have tried to gain an insight in...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2011.11.003
更新日期:2012-02-01 00:00:00
abstract::During the course of infection, Yersinia enterocolitica invades tissues where macrophages and polymorphonuclear leucocytes (PMNs) constitute the first line of defence. As expression of virulence in Y. enterocolitica is governed in part by a c. 70 kilobase virulence plasmid (pYV), we investigated the influence of this ...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/0882-4010(92)90018-j
更新日期:1992-09-01 00:00:00
abstract::Iron plays a central role at the interface of pathogen and host. The ability to sequester iron from a host not only reduces host immune defenses but also promotes pathogen virulence, leading to the occurrence of infectious disease. Recently, outer membrane protein OmpW was shown to protect bacteria against harsh envir...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2019.103808
更新日期:2020-01-01 00:00:00
abstract::Actinobacillus pleuropneumoniae is the pathogen of porcine contagious pleuropneumonia causing great economic losses globally. LuxS is known to be involved in the interspecies quorum sensing by mediating the production of AI-2 signal molecule and play important roles in regulating various behaviors of bacteria. In this...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2008.05.008
更新日期:2008-09-01 00:00:00
abstract::The gene gseA, involved in the expression of the genus-specific epitope of chlamydial lipopolysaccharide (LPS), was analyzed by temperature gradient gel electrophoresis (TGGE) to visualize nucleotide sequence variations among the 15 serovars of Chlamydia trachomatis. Sequence analysis showed that the TGGE melting-prof...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1006/mpat.1994.1055
更新日期:1994-08-01 00:00:00
abstract::Mycoplasma hyopneumoniae is the etiological agent of enzootic pneumonia (EP), a widespread disease that causes major economic losses to the pig industry. The swine host response plays an important role in the outcome of M. hyopneumoniae infections. The whole proteome of newborn pig trachea (NPTr) epithelial cells infe...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2019.103717
更新日期:2019-12-01 00:00:00
abstract::Programmed cell death is part of normal development and homeostasis. Apoptosis induced by bacteria appears to contribute to infectious diseases. Some bacteria produce toxins to kill host cells by the same pathway, apoptosis, through different mechanisms including pore formation, protein synthesis inhibition or adenyla...
journal_title:Microbial pathogenesis
pub_type: 杂志文章,评审
doi:10.1006/mpat.1994.1066
更新日期:1994-10-01 00:00:00
abstract::Staphylococcus aureus is one of the major bacterial mastitis pathogens with significant effects on animal and human health. Some studies showed that S. aureus strains that infect different host species are genetically distinct, although most strains can infect a wide range of host species. However, there are no clearl...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2020.104171
更新日期:2020-07-01 00:00:00
abstract::Acute lung injury (ALI) is considered as an uncontrolled inflammatory response that can leads to acute respiratory distress syndrome (ARDS), which limits the therapeutic strategies. Ginsenosides Rb1 (Rb1), an active ingredient obtained from Panax ginseng, possesses a broad range of pharmacological and medicinal proper...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2020.104109
更新日期:2020-06-01 00:00:00
abstract::New strategies are required to improve the efficacy of drugs and to treat the emerging microbial resistance. An effective strategy is to combine drugs with metal nanoparticles for the control of microbial infections and resistance. Keeping in view this fact, we developed a facile and eco-friendly protocol for the synt...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2016.08.031
更新日期:2016-10-01 00:00:00
abstract::Clinical isolates of Pseudomonas aeruginosa are either invasive or cytotoxic towards mammalian epithelial cells, endothelial cells, and macrophages. Invasion requires host cell actin cytoskeleton function, and ExsA-regulated proteins of P. aeruginosa that inhibit invasion (ExoS and ExoT) can disrupt the cytoskeleton. ...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1006/mpat.2002.0521
更新日期:2002-09-01 00:00:00
abstract::Thymol and carvacrol from the class of monoterpene phenols are one of the most potent plant essential oil components possessing antimicrobial effects. Known for their wide bioactive spectrum, these positional isomers of isopropyl cresol deplete ergosterol content, compromise membrane permeability, block efflux pumps a...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2015.02.004
更新日期:2015-03-01 00:00:00
abstract::Edwardsiella tarda, an important fish pathogenic bacterium, could utilize type III secretion system (T3SS) to transfer multiple effector proteins into host cells during infection. EseG was identified to be an E. tarda T3SS effector, which could be injected by T3SS into non-phagocytic cells. Since E. tarda is a faculta...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2016.05.008
更新日期:2016-08-01 00:00:00
abstract::YopM is a type III secretion effector from Yersinia which contributes to pathogenicity but whose action still remains unclear. It is an acidic, leucine-rich repeats (LRR) containing protein which migrates to the nucleus of target cells in spite of the fact that it does not contain any classical nuclear localization si...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2003.12.006
更新日期:2004-05-01 00:00:00
abstract::The enteropathogenic potential of 32 Vibrio cholerae O1 isolates that do not produce cholera toxin was examined in the orally inoculated, sealed adult mouse model. Live cultures (2 x 10(10) cfu/ml) of 7/16 clinical and 6/16 environmental isolates produced a positive intestinal fluid accumulation (FA) ratio that reache...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/0882-4010(92)90008-c
更新日期:1992-06-01 00:00:00
abstract::A total of 54 positive blood aerobic cultures of suspected blood sepsis in neonates were purified, diagnosed and tested for antibiotic susceptibility. Six bacterial pathogens of Escherichia coli (10 isolates), Klebsiella pneumoniae (10 isolates), Haemophilus influenzae (4 isolates), Pseudomonas aeruginosa (3 isolates)...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2020.104447
更新日期:2020-11-01 00:00:00
abstract::To assess the role of mannosylated lipoarabinomannan (ManLAM) in the inflammatory and apoptotic response of mycobacteria-infected and uninfected, bystander cells we applied a mouse macrophage model of infection with avirulent strains--Mycobacterium bovis BCG, Mycobacterium tuberculosis (MTB) H37Ra and compared with a ...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2011.03.004
更新日期:2011-07-01 00:00:00
abstract::Essential oils (EOs) obtained from aromatic plants are rich in natural components with interesting antimicrobial effects. The aim of this study was to evaluate the chemical composition of EOs extracted from Origanum majorana (OM-EO), Mentha suaveolens (MS-EO), Rosmarinus officinalis (RO-EO), Salvia officinalis (SO-EO)...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2020.104510
更新日期:2020-12-01 00:00:00
abstract::A virus inhibitor found in gastric secretions and in extracts from gastrointestinal tissues is described. The inhibitor shares a number of characteristics with the recently described contact-blocking virus inhibitor (CVI), which is produced by unstimulated cells in culture, and occurs naturally in some body fluids. Th...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/0882-4010(86)90048-3
更新日期:1986-06-01 00:00:00
abstract::Porphyromonas gingivalis is capable of in vitro growth when iron sources are either complexed to hemin or host iron transport proteins, or exist in an inorganic form. This study examined the effect of these iron sources on outer membrane protein (OMP) expression in P. gingivalis W50. Hemin (iron) starved P. gingivalis...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/0882-4010(92)90032-j
更新日期:1992-07-01 00:00:00
abstract::Bean common mosaic virus (BCMV), the most common seed-borne pathogen in Phaseolus vulgaris L. is known to cause severe loss in productivity across the globe. In the present study, proteomic analyses were performed for leaf samples from control (healthy) and susceptible BCMV infected plants. The differential expression...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2019.103812
更新日期:2020-01-01 00:00:00
abstract::The Guama virus (GMAV) is a member of Peribunyaviridae family, Orthobunyavirus genus. Several strains of the virus were isolated in South and Central Americas from several hosts, such as humans, wild animals, including nonhuman primates, wild rodents and mosquitoes as well as mice used as sentinels. The virus is able ...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2019.103627
更新日期:2019-10-01 00:00:00
abstract::Histophilus somni (H. somni) is a gram-negative bacterial pathogen that causes respiratory, reproductive, and central nervous system disease in cattle. The hallmark of systemic H. somni infection is diffused vasculitis that can lead to an acute central nervous system disease known as thrombotic meningoencephalitis (TM...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2009.06.001
更新日期:2009-09-01 00:00:00
abstract::Molecular prevalence of nine putative virulence factors in two more prevalent Brucella species in Iranian patients and livestock was investigated. During five years (2010-2015), 120 human and animal specimens were collected from three geographical areas of Iran. All samples were cultured in blood culture media and sub...
journal_title:Microbial pathogenesis
pub_type: 杂志文章
doi:10.1016/j.micpath.2017.03.007
更新日期:2017-04-01 00:00:00