Abstract：
:Dengue virus (DV) infections are a serious public health problem and there is currently no vaccine or drug treatment. NS2B/NS3 protease, an essential enzyme for viral replication, is one of the promising targets in the search for drugs against DV. In this research work, virtual screening (VS) was carried out on four multi-conformational databases using several criteria. Firstly, molecular dynamics simulations of the NS2B/NS3 protease and four known inhibitors, which reveal an importance of both electrostatic and van der Waals interactions in stabilizing the ligand-enzyme interaction, were used to generate three different pharmacophore models (a structure-based, a static and a dynamic). Subsequently, these three models were employed for pharmacophore search in the VS. Secondly, compounds passing the first criterion were further reduced using the Lipinski's rule of five to keep only compounds with drug-like properties. Thirdly, molecular docking calculations were performed to remove compounds with unsuitable ligand-enzyme interactions. Finally, binding free energy of each compound was calculated. Compounds having better energy than the known inhibitors were selected and thus 20 potential hits were obtained.
journal_name
Trop Biomedjournal_title
Tropical biomedicineauthors
Wichapong K,Nueangaudom A,Pianwanit S,Sippl W,Kokpol Ssubject
Has Abstractpub_date
2013-09-01 00:00:00pages
388-408issue
3eissn
0127-5720issn
2521-9855journal_volume
30pub_type
杂志文章abstract：:This is the first report of Synthesiomyia nudiseta (Wulp) (Diptera: Muscidae) on a human corpse discovered in a high-rise building in Malaysia. On 5 March 2008, a decomposing body of an adult female was found on the top floor of a thirteen-story building in Kuala Lumpur, Malaysia. Her body was colonized by S. nu...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2012-03-01 00:00:00
abstract：:Entamoeba histolytica, the causative agent of human amoebiasis remains a significant cause of morbidity and mortality in developing countries and is responsible for up to 100,000 deaths worldwide each year. Entamoeba dispar, morphologically indistinguishable from E. histolytica is more common in humans in many parts o...
journal_title：Tropical biomedicine
pub_type： 杂志文章,评审
doi：
更新日期：2011-08-01 00:00:00
abstract：:Plasmodim vivax malaria accounts for more than 90% of malaria cases in Sri Lanka. There is limited information on the genetic heterogeneity of P. vivax in endemic areas of the country. Here we have assessed the potential of two P. vivax genes as genetic markers for their use in genotyping parasites collected from the ...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2008-08-01 00:00:00
abstract：:Methicillin-resistant Staphylococcus aureus (MRSA) is known to cause nosocomial infections and is now becoming an emerging problem in veterinary medicine. The objective of the study was to determine the presence of MRSA in 100 cats and dogs sampled between November 2007 and April 2008 at the University Veterinary Hosp...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2010-12-01 00:00:00
abstract：:A human corpse at an advanced stage of decomposition was found in a house in the residential area of Bukit Mertajam, Penang, Malaysia. Entomological specimens were collected during the post-mortem and the live specimens were subsequently reared at room temperature. The time of death was estimated to have been 14 days ...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2009-04-01 00:00:00
abstract：:In the present study, a total of 1,235 porcine serum samples were collected from 9 counties in Jilin Province (40°52'~46°18'N,121°38'~131°19'E), northeastern China from August to October 2013, and the seroprevalence of Toxoplasma gondii infection was tested by indirect haemagglutination assay (IHA). The results showed...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2015-03-01 00:00:00
abstract：:Understanding the genetic diversity, extent and distribution of variant forms of Plasmodium vivax parasites is crucial in the development of effective control measures and in Orissa, a hyperendemic state in the eastern part of India, the polymorphic nature of P. vivax isolates is largely lacking. The result of the stu...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2010-12-01 00:00:00
abstract：:Crab is an important source of food allergen. Tropomyosin represents the main crab allergen and is responsible for IgE cross-reactivity between various species of crustaceans. Recently, other new crab allergens including arginine kinase have been identified. However, information on allergens of the local Portuni...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2012-09-01 00:00:00
abstract：:Routine surveillance on resistant status of field mosquito populations is important to implement suitable strategies in order to prevent pest outbreaks. WHO test kit bioassay is the most frequent bioassay used to investigate the susceptibility status of field-collected mosquitoes, as it is relatively convenient ...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2011-08-01 00:00:00
abstract：:Using standard WHO methodology, this study investigated the susceptibility of 4(th) instar Aedes aegypti (L) and Culex annulirostris (Skuse) larvae to three extracts from Callitris glaucophylla (J. Thompson & L. Johnson) (1: steam distillation extract, 2: liquefied refrigerant gas extract, and 3: methanol reflux extra...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2006-12-01 00:00:00
abstract：:This study reports for the first time molecular detection of Anaplasma platys infection in 4 (13.3%) of 30 Malaysian dogs investigated. A low occurrence (3.3%) of Babesia gibsoni was also noted, being detected in one of the 30 dogs. Rickettsia, Bartonella, Orientia tsutsugamushi, and Ehrlichia DNA were not detected in...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2013-06-01 00:00:00
abstract：:Entamoeba histolytica causes amoebic diarrhoea, colitis and liver abscess (ALA). Diagnosis of ALA is difficult, as most patients do not have simultaneous intestinal amoebic infection. At Hospital Universiti Sains Malaysia (HUSM), diagnosis of ALA relies on a combination of clinical findings, ultrasound examination of ...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2013-06-01 00:00:00
abstract：:The adulticidal activity of methanol extracts from three Malaysian plants namely Acorus calamus Linn., Litsea elliptica Blume and Piper aduncum Linn. against adult of Aedes aegypti (L.) were studied. Standard WHO bioassay tests were used to evaluate the effectiveness of these plant extracts. The hexane fraction from m...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2004-12-01 00:00:00
abstract：:Sugarcane bagasse is a renewable resource that can be used to produce biopesticide for the control of mosquito vectors. In the present study, we demonstrated that cane processed bagasse could be used to produce Bacillus thuringiensis serovar israelensis (Bti) for control of mosquito vectors viz: Culex quinquefasciatus...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2013-09-01 00:00:00
abstract：:Piophila casei (Linnaeus) (Diptera: Piophilidae) is reported from human cadavers in two separate forensic cases for the first time in Malaysia. Both bodies were found indoors. The first case, was that of a male of unknown nationality and age and also contained maggots of the muscid Ophyra spinigera (Stein). The second...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2008-08-01 00:00:00
abstract：:A survey of cockroach fauna was carried out on the 3 inhabited islands of the Ogasawara chain island of Japan, namely, Chichijima island, Hahajima island and Iwo island. Seven species, namely, Periplaneta americana (Linnaeus, 1758), Periplaneta australasiae (Fabricius, 1775), Blattella lituricollis (Walker, 1868), Ony...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2013-03-01 00:00:00
abstract：:A cohort study was performed to evaluate the incidence and risk factors of Giardia duodenalis infection in an orphanage in suburban area outside Bangkok, central Thailand. Stool specimens were examined for the presence of G. duodenalis in January 2007, May 2007 and January 2008. Of 892 stool specimens from 481 individ...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2014-09-01 00:00:00
abstract：:Infections and malignancies are common causes of pleural effusion. Among infectious causes, hyperinfection syndrome of Strongyloides stercoralis may occur in immunosuppressive patient. A 62-year-old man, known case of Non-Hodgkin lymphoma (NHL) was presented with recurrent NHL stage IV and had undergone salvage chemot...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2011-04-01 00:00:00
abstract：:The objective of this work is to evaluate the usefulness of a standardized clinical classification of hydroceles in lymphatic filariasis endemic countries to guide their surgical management. 64 patients with hydroceles were operated in 2009-2010, in Level II hospitals (WHO classification), during two visits to F...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2012-03-01 00:00:00
abstract：:In the present study, serum samples from 402 sheep and 216 goats were collected from 5 counties in Jinzhou from August to October 2012 and antibodies to Toxoplasma gondii were detected by modified agglutination test (MAT). Overall, 104 (16.8%) had antibodies to T. gondii with antibody titres of 1:25 to 1:800. Seroposi...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2015-09-01 00:00:00
abstract：:Prior to the implementation of Haemophilus influenzae type b vaccination worldwide, H. influenzae has been one of the main causative agents of community acquired pneumonia and meningitis in children. Due to the lack of information on the characteristics of the H. influenzae isolates that have previously been col...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2012-09-01 00:00:00
abstract：:A total of 29 female black flies were captured by a hand net as they swarmed around humans in Tam Dao National Park, Vinh Phuc Province, Vietnam. They included one species of the subgenus Gomphostilbia (Simulium (Gomphostilbia) asakoae Takaoka & Davies) and five species of the subgenus Simulium, of which one species i...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2014-12-01 00:00:00
abstract：:The emergence of bone marrow micronucleated polychromatic erythrocytes (MN-PCE) in rats experimentally infected with Trypanosoma brucei brucei was examined in order to understand the bone marrow effects in trypanosomiasis infection. Bone marrow was collected for micronucleus assay while blood samples were collected fr...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2014-06-01 00:00:00
abstract：:During a forensic entomological study conducted in a palm oil plantation in Tg.Sepat, Selangor in September 2007, a spider (Arachnida), Oxyopes sp. (Oxyopidae) was found to predate on a calliphorid fly (Chrysomya rufifacies). The female spider laid a silk thread, or "drag line", behind it as it moved. This spider bite...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2008-04-01 00:00:00
abstract：:Limited data is available on the prevalence of parasitic infections among the island communities in Malaysia with most studies performed between 1960s-1980s. This study was conducted to determine the current prevalence status of parasitic infections among communities living in Pangkor Island Peninsular Malaysia. A tot...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2014-12-01 00:00:00
abstract：:Cryptosporidiosis is a particular concern in immunocompromised individuals where symptoms may be severe. The aim of this study was to examine the epidemiological and molecular characteristics of Cryptosporidium infections in HIV/AIDS patients in Malaysia in order to identify risk factors and facilitate control measure...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2015-06-01 00:00:00
abstract：:Hand, foot and mouth disease (HFMD) is a common viral infection among infants and children. The major causative agents of HFMD are enterovirus 71 (EV71) and coxsackievirus A16 (CVA16). Recently, coxsackievirus A6 (CVA6) infections were reported in neighboring countries. Infected infants and children may present with f...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2014-12-01 00:00:00
abstract：:Laboratory strain of the Malaysian Culex quinquefasciatus was susceptible to Wuchereria bancrofti. Thirty three percent of the Cx. quinquefasciatus that fed on W. bancrofti patient were infective after 12-14 days. There is a possibility for W. bancrofti to occur in the urban areas of the Malaysia in the near future. ...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2005-06-01 00:00:00
abstract：:Japanese encephalitis (JE) virus activity is an important cause of viral encephalitis in Southeast Asia. In Malaysia, JEV activity has been first detected in Culex gelidus in 1976. Since then, no study has fully addressed the seasonal dynamics of this mosquito. As irrigated rice production expands, the incidence of JE...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2010-12-01 00:00:00
abstract：:Haematophagous dipterans belonging to 10 genera - Aedes (12), Anopheles (14), Armigeres (01), Culex (09), Toxorhynchites (01), Uranotaenia (01), Sergentomyia (02), Phlebotomus (01), Atylotus (01) and Tabanus (03) were encountered from 12 localities under 6 blocks of Dehradun district (Uttarakhand) during January 2011 ...
journal_title：Tropical biomedicine
pub_type： 杂志文章
doi：
更新日期：2013-12-01 00:00:00
