Preferred Language
Articles
/
bijps-1604
A Comparative Study for the Accuracy of Three Molecular Docking Programs Using HIV-1 Protease Inhibitors as a Model
...Show More Authors

Flexible molecular docking is a computational method of structure-based drug design to evaluate binding interactions between receptor and ligand and identify the ligand conformation within the receptor pocket. Currently, various molecular docking programs are extensively applied; therefore, realizing accuracy and performance of the various docking programs could have a significant value. In this comparative study, the performance and accuracy of three widely used non-commercial docking software (AutoDock Vina, 1-Click Docking, and UCSF DOCK) was evaluated through investigations of the predicted binding affinity and binding conformation of the same set of small molecules (HIV-1 protease inhibitors) and a protein target HIV-1 protease enzyme. The tested sets are composed of eight receptor-ligand complexes with high resolution crystal structures downloaded from Protein Data Bank website. Molecular dockings were applied between approved HIV-1 protease inhibitors and the HIV-1 protease using AutoDock Vina, 1-Click Docking, and DOCK6. Then, docking poses of the top-ranked solution was realized using UCSF Chimera. Furthermore, Pearson correlation coefficient (r) and coefficient of determination (r2) between the experimental results and the top scored docking results of each program were calculated using Graphpad prism V9.2. After comparing saquinavir top scored binding poses of each docking program with the crystal structure, various conformational changes were observed. Moreover, according to the relative comparison between the top ranked calculated ?Gbinding values against the experimental results, r2 value of AutoDock Vina, 1-Click Docking, and DOCK6 were 0.65, 0.41, and 0.005, respectively. The outcome of this study shows that the top scored binding free energy could not produce the best pose prediction. In addition, AutoDock Vina results have the highest correlation with the experimental results.

 

Scopus Crossref
View Publication Preview PDF
Quick Preview PDF
Publication Date
Tue Nov 01 2022
Journal Name
Journal Of Engineering
Comparative Study on the Hardness of Mechroha Water Springs
...Show More Authors

The vacancy of natural resources is undoubtedly limited by time. The sustainable development principle recommends modern technology for its protection and renewal. This project conducted analyses on two underground water sources in the north of Algeria (Mechroha Province). Besides, the use of the hardness factor and the adoption of the titration method, which is  the determining the concentration of an unknown solution using a known solution concentration, have permitted the characterization of the examples taken and to verify their conformity to the standard required, the results found showed HT=6.66 French degrees (oF) ) for Ain Guilloume water spring in comparison to Ain Messai water spring H

... Show More
View Publication Preview PDF
Crossref
Publication Date
Wed Dec 15 2021
Journal Name
Arab World English Journal
Reading Difficulties in English as a Second Language in Grade Five at a Saint Patrick’s High School for Boys, Hyderabad- India
...Show More Authors

Reading is one of the essential components of the English language. Countries that use English as a second language (ESL) sometimes have difficulties in reading and comprehension. According to many researches, mother tongue has proved some interferences with learning a second language. This study investigated the results of reading difficulties of young second language learners in terms of accuracy, comprehension, and rate using the Neale Analysis of Reading Ability test. The study was carried out in one of the High Schools for Boys in Hyderabad, India and included Grade five, aged 10-12 years. In order to understand the reading difficulties of English as a second language, a qualitative approach was employed. Interview, reading tes

... Show More
View Publication Preview PDF
Crossref (1)
Clarivate Crossref
Publication Date
Wed Aug 01 2018
Journal Name
Journal Of Economics And Administrative Sciences
Analysis of the Current Financial Crisis : Causes and Solutions (Iraqi crisis a model , based on the public budget for the fiscal year 2016)
...Show More Authors

The research aims to analysis of the current financial crisis in Iraq through knowing its causes and then propose some solutions that help in remedy the crisis and that on the level of expenditures and revenues, and has been relying on the Federal general budget law of the Republic of Iraq for the fiscal year 2016 to obtain the necessary data in respect of the current expenditures and revenues which necessary to achieve the objective of the research , and through the research results has been reached to a set of conclusions which the most important of them that causes of the current financial crisis in Iraq , mainly belonging to increased expenditures and especially the current ones and the lack of revenues , especially non-oil o

... Show More
View Publication Preview PDF
Crossref
Publication Date
Fri Mar 31 2017
Journal Name
Al-khwarizmi Engineering Journal
Comparative Study for Organic and Inorganic Draw Solutions in Forward Osmosis
...Show More Authors

The present work aims to study forward osmosis process using different kinds of draw solutions and membranes. Three types of draw solutions (sodium chloride, sodium formate, and sodium acetate) were used in forward osmosis process to evaluate their effectiveness with respect to water flux and reverse salt flux. Experiments conducted in a laboratory-scale forward osmosis (FO) unit in cross flow flat sheet membrane cell.  Three types of membranes (Thin film composite (TFC), Cellulose acetate (CA), and Cellulose triacetate (CTA)) were used to determine the water flux under osmotic pressure as a driving force. The effect of temperature, draw solution concentration, feed and draw solution flow rate, and membrane types, were studied with

... Show More
View Publication Preview PDF
Crossref (6)
Crossref
Publication Date
Tue Mar 24 2020
Journal Name
Mintage Journal Of Pharmaceutical & Medical Sciences
CD44 AS A TUMOR MARKER DIAGNOSTIC, THE ROLE IN CANCER PROGRESSION
...Show More Authors

Publication Date
Mon Feb 14 2022
Journal Name
Journal Of Educational And Psychological Researches
The Reality of Adapting Curricula and Educational Programs for Pupils with Visual Handicapped from Their Teachers’ Perspectives
...Show More Authors

The current study aims to identify the level of adaptation of the curriculum for visually handicapped pupils from the point of view of their teachers as well as to identify the level of adaptation of the educational programs offered to visually handicapped pupils from the point of view of their teachers. In order to achieve the goals of the research, the researcher developed two tools to measure the adaptation of curricula and educational programs for pupils with visual handicapped from the point of view of teachers. The sample included (60) teachers from Al Noor Institute for Blinders in Baghdad, the two tools were applied to them, and then the Reliability and Validity coefficients were extracted. The results sh

... Show More
View Publication Preview PDF
Publication Date
Wed Feb 01 2023
Journal Name
Journal Of Engineering
Checking the Accuracy of Selected Formulae for both Clear Water and Live Bed Bridge Scour
...Show More Authors

Due to severe scouring, many bridges failed worldwide. Therefore, the safety of the existing bridge (after contrition) mainly depends on the continuous monitoring of local scour at the substructure. However, the bridge's safety before construction mainly depends on the consideration of local scour estimation at the bridge substructure. Estimating the local scour at the bridge piers is usually done using the available formulae. Almost all the formulae used in estimating local scour at the bridge piers were derived from laboratory data. It is essential to test the performance of proposed local scour formulae using field data. In this study, the performance of selected bridge scours estimation formulae was validated and sta

... Show More
View Publication Preview PDF
Crossref (2)
Crossref
Publication Date
Sat May 01 2021
Journal Name
Iop Conference Series: Earth And Environmental Science
Isolation and Identification of Alkaline Protease Producing Aspergills niger from Iraqi Soils
...Show More Authors
Abstract<p>Twenty purified isolates were obtained by using different soil sources, only twelve isolates belonging to Aspergillus genera depending on cultural and morphological characterization. The isolates were used as alkaline protease producer. The highest proteolytic, enzymatic activity (95.83U/ml) was obtained from <italic>Aspergillus</italic> sp. ZE isolate. This isolate was identified by 5.8 rRNA gene sequencing as <italic>Aspergills niger</italic> (accuracy of 99%), which was matched with the sequence of <italic>Aspergills niger</italic> strain GM775228 recorded in Gene bank under the ID: GM 775228.1.</p>
View Publication
Scopus (2)
Crossref (1)
Scopus Crossref
Publication Date
Tue Oct 02 2018
Journal Name
Iraqi Journal Of Physics
Informative accuracy investigation and updating map using remote sensing technique and GIS
...Show More Authors

In this work, using GPS which has best accuracy that can be established set of GCPs, also two satellite images can be used, first with high resolution QuickBird, and second has low resolution Landsat image and topographic maps with 1:100,000 and 1:250,000 scales. The implementing of these factors (GPS, two satellite images, different scales for topographic maps, and set of GCPs) can be applying. In this study, must be divided this work into two parts geometric accuracy and informative accuracy investigation. The first part is showing geometric correction for two satellite images and maps.
The second part of the results is to demonstrate the features (how the features appearance) of topographic map or pictorial map (image map), Where i

... Show More
View Publication Preview PDF
Crossref
Publication Date
Wed Feb 01 2017
Journal Name
International Journal Of Science And Research (ijsr)
A Comparative Study between Computer Textbooks Content in the Secondary Stage and Computer Textbooks Content in the University Stage in Colleges of Education at Baghdad University
...Show More Authors

Record, verify, and showcase your peer review contributions in a format you can include in job and funding applications (without breaking reviewer anonymity).

View Publication Preview PDF