Evaluation of QSAR and ligand enzyme docking for the identification of ABCB1 substrates

P-glycoprotein (P-gp) is an efflux pump that belongs to ATP-binding cassette (ABC) transporter family embedded in the membrane bilayer. P-gp is a polyspecific protein that has demonstrated its function as a transporter of hydrophobic drugs as well as transporting lipids, steroids and metabolic products. Its role in multidrug resistance (MDR) and pharmacokinetic profile of clinically important drug molecules has been widely recognised. In this study, QSAR and enzyme-ligand docking methods were explored in order to classify substrates and non-substrates of P-glycoprotein. A set of 123 compounds designated as substrates (54) or non-substrates (69) by Matsson et al., 2009 was used for the investigation. For QSAR studies, molecular descriptors were calculated using ACD labs/LogD Suite and MOE (CCG Inc.). P-glycoprotein structures available in the Protein data bank were used for docking studies and determination of binding scores using MOE software. Binding sites were defined using co-crystallised ligand structures. Three classification algorithms which included classification and regression trees, boosted trees and support vector machine were examined. Models were developed using a training set of 98 compounds and were validated using the remaining compounds as the external test set. A model generated using BT was identified as the best of three models, with a prediction accuracy of 88%, Mathews correlation coefficient of 0.77 and Youden’s J index of 0.80 for the test set. Inclusion of various docking scores for different binding sites improved the models only marginally

The impact of active workstations on workplace productivity and performance: a systematic review

Active workstations have been recommended for reducing sedentary behavior in the workplace. It is important to understand if the use of these workstations has an impact on worker productivity. The aim of this systematic review was to examine the effect of active workstations on workplace productivity and performance. A total of 3303 articles were initially identified by a systematic search and seven articles met eligibility criteria for inclusion. A quality appraisal was conducted to assess risk of bias, confounding, internal and external validity, and reporting. Most of the studies reported cognitive performance as opposed to productivity. Five studies assessed cognitive performance during use of an active workstation, usually in a single session. Sit-stand desks had no detrimental effect on performance, however, some studies with treadmill and cycling workstations identified potential decreases in performance. Many of the studies lacked the power required to achieve statistical significance. Three studies assessed workplace productivity after prolonged use of an active workstation for between 12 and 52 weeks. These studies reported no significant effect on productivity. Active workstations do not appear to decrease workplace performance

Magnetic Characterisation of Rocks Underlying FUTA Campus, South-Western Nigeria

The Federal University of Technology, Akure Campus is predominantly underlain by the Migmatite-gneiss-quartzite complex of the West African Basement Rocks, which forms part of the Pan-African mobile belt. Geo-magnetic characterisation of the underlying rocks was conducted in order to determine the rock boundaries and geologic features within the near surface and subsurface areas of the Campus. Both qualitative and quantitative interpretations of total magnetic intensity data obtained in the area yielded results in terms of different rock units, linear magnetic fabrics, subsurface features and depth to basement of the rocks. On the basis of magnetic response, four rocks units including Granite, Migmatite gneiss, Charnokite and Quartzite were delineated, with varying degree of fabrics’ alterations. Depth-to-bedrock in the Campus varies from 0 to 98.5 m, while depth to fracture/fault in the area falls between 0.1 m and 149.6 m. Keywords: Geo-magnetic characterisation, depth-to-bedrock,   rock fabric, total magnetic intensity, magnetic response

SUSTAINING AGRICULTURAL PRODUCTION IN A DEREGULATED ECONOMY

This paper reuiews the policy framework for Nlgelian agriculture and gauges Its Impact plior to and since the commencement of economic deregulation. It investigates the prospects, analyses tile constraints and ouUlnes a feasible strategy for sustaining ag~icultural growth In a deregulated enabling environment. The paper notes that In the period, 1970 to 1982, the deterioration In ag~icultural pe1jormance In Nlge1ia was the result not only of extemal shocks and erwironmental and/or edaphfc foctors, but of distorted policy pursuits which created clislncentiues for farming. Howeuer, following attemptS to deregulate the economy with the adopUon of the Structural Adjustment Pl:o!P·amme In 1986 and the consequent eff01t to get price lncenUues right for agriculture, there was some Improvement in ag~icultural performance. It Is noted that agricultural sector growth has recently been lwmpered by increased costs 01ising mainly from genera/deregulation. An lnuestlgatlon of the resource base and prospects shows that ag~kulture can contlibute more to g~·owth than In recent years. But success wlll require engendering a conducive enabling environment and Incentives, avaliC!bility of technology and Inputs as well as Infrastructure. This calls for an oction plan which glues the prluate and Informal sectors bigger roles In the execution of development prog~·ammes. In addition, the public section would need to refocus current policies and priolitles with more uigorous implementation of known successful approoches based on factor endowments for stimulating growth

HEAVY METALS IN THE MYONEMATIC, HEPATIC AND RENAL TISSUES OF THE AFRICAN CAT FISH (Clarias gariepinus) FROM OGBA RIVER, BENIN CITY, NIGERIA.

The concentrations of heavy metals (Pb, Cd, Zn, Cu, Cr and As) in the myonematic, hepatic and renal tissues of the African catfish (Clarias gariepinus) from Ogba river, Benin City, Nigeria, were determined using a Unicam 929 series atomic absorption spectrophotometer. The concentrations of the aforementioned metals were also determined in water. The mean concentration of Pb ranged from 0.19mg/kg (muscle) to 0.39mg/kg (liver) while the mean concentration of Cd ranged from 0.03mg/kg (muscle) to 0.09mg/kg (liver). The mean concentration of Zn ranged from 0.09mg/kg( muscle) to 0.33mg/kg (liver) while the mean concentration of Cu ranged from 0.23mg/kg (muscle) to 0.76mg/kg(liver). The mean concentration of Cr ranged from 0.19mg/kg (muscle) to 0.41mg/kg (liver) while the mean concentration of As ranged from 0.36mg/kg (kidney) to 0.54mg/kg (muscle). The mean concentrations of the heavy metals in water were Pb(0.09mg/l), Cd(0.04mg/l), Zn(0.01mg/l), Cu(0.53mg/l), Cr(0.38mg/l) and As(0.59mg/l). With the exception of Cu, the mean concentrations of the heavy metals in water were generally above the World Health Organization (WHO) maximum allowable limit for the respective metals in drinking water implying that water from the river is unfit for human consumption owing to heavy metal contamination. The mean concentrations of Cr and As exceeded the WHO maximum allowable limits for fish food. The direct implication of this finding is that people who consume fish from the river are liable to potential health hazards resulting from Cr and As contamination.Â

E-Health Technologies in Attainment of the Millennium Development Goals for Africa Healthcare System

The challenge of quality and equitable health services provisioning in Africa is daunting. Advances in e-health technologies hold great potential to revolutionalize health systems in Africa. This paper examines the African health systems challenges and the potential in e-health technologies in enabling the attainment of the African health Millennium Development Goals. An e-health research, innovation and partnership strategy is proposed towards this end. Some implications are posited and conclusion drawn

Conservation and Biodiversity Erosion in Ondo State, Nigeria: (2). Assessing Botanicals Used in the Storage of Farm Produce in Akure region

Semi-structured questionnaire matrix was used to identify plant species used for storage purposes in five communities situated within 5kilometre radius from Akure, the Ondo State capital, south-western Nigeria. A total of 32 botanical species were found to be commonly used in the preservation of farm produce in the study area. The leaves constituted the major part of the botanical that were widely utilised while the major farm produce common in the study area were kola nuts and bitter kola The descriptions of the indigenous knowledge of the various methods of application of the botanicals were identified and documented. Only nine of the botanicals were cultivated abundantly in the study area. The household farm, forest and common area constituted the major primary sources of the storage botanicals. Strategies that could ensure the continuous supply of the storage botanicals were proposed

Biochemical Changes in Plasma Lipids and Mineral Elements in Preeclampsia Patients in Ekiti State, Nigeria

This study has determined the concentrations of Total Cholesterol (TC), High Density Lipoprotein (HDL), Low  Density Lipoprotein (LDL), Triacylglyceride (TG),  Very Low Density Lipoprotein (VLDL),  Mineral Elements and some Electrolytes. Subjects used for this study were made up of 180 women with preeclampsia and 80 normotensive pregnant women, who attended antenatal and postnatal clinics of the Ekiti State University Teaching Hospital, Ado-Ekiti and Federal Medical center, Ido-Ekiti, Ekiti State, Nigeria. In addition, 80 control volunteers were also involved in this study. The control participants comprise of 40 normotensive and 40 hypertensive non-pregnant women randomly selected. They were also non-users of contraceptives therapy. Anthropometric measurements including age, parity, blood pressure, height and weight were recorded for the subjects.  Plasma concentrations of each of the biomarkers were determined using test kits, based on established methods, in the subjects at 1st trimester , 2nd trimester and  3-6 days post-partum. The results in the hypertensive pregnant subjects were compared statistically (P<0.05), with the normotensive pregnant subjects. TC, LDLC, VLDLC and TG increase significantly in PIH subjects, but HDL showed significant decrease in the preeclampsia subjects ,as the pregnancy progresses to the 3rd trimester. At post –partum the lipid profile becomes normal again in preeclampsia. Subjects with preeclampsia showed more significant decrease in the levels of Ca, Mg, Na, and P elements.   This research work pointed out clearly that, Plasma lipids and some mineral elements are implicated in Pregnancy Induced Hypertension. They may be likely etiological factors in the disease, and may also serve as indicators for early detection. Keywords: Preeclampsia, Total Cholesterol (TC), High Density Lipoprotein (HDL), Low  Density Lipoprotein (LDL), Triacylglyceride (TG),  Very Low Density Lipoprotein (VLDL), Mineral elements

Maxillofacial trauma due to road traffic accidents in Benin City, Nigeria: a prospective study

Background: The incidence and causes of road traffic accidents (RTAs) vary with geographical location. The economic and social costs of RTAs are enormous. The knowledge of aetiologic factors and associated injury patterns may be important in planning for prevention and treatment. The aim of this study was to document the aetiological factors and the frequency of maxillofacial injuries due to RTAs. Methods: Over a six-month period, 312 patients with facial trauma due to RTAs were prospectively studied. The demographic parameters, the cause of the RTA, the vehicle type, the use of seat belts, helmets, and other safety devices were recorded. Distribution of maxillofacial bone and soft tissue injuries by vehicle type as well as associated injuries were documented. Results: The minibus was the vehicle type most often involved (36.2%) and tyre blowout (21.2%) was identified as the most common contributory factor. Males 117 (37.5%) in the 21 – 30 year- age range were most often involved. The forehead was most often the site of soft tissue injury (37.3%) while the mandible was the facial bone most often fractured (29.2%). Head injury (55.8%) was the commonest associated injury. Conclusion: The low utilization of safety devices like seat belts and air bags as well as the absence and non-enforcement of road traffic legislation were identified as aetiological factors. Keywords: Aetiologic factors, maxillofacial trauma, road traffic accidents Annals of African Medicine Vol.2(2) 2003: 58-6