This study was performed to develop a quantitative structure–activity relationship (QSAR) model of the biological activity of indole glyoxamide derivatives as an inhibitor of the interaction between human immunodeficiency virus (HIV) glycoprotein gp120 and host cell CD4 receptors. In present study, forty different compounds were selected as a sample set. Combinations of multiple linear regressions (MLR), genetic algorithms (GA) and artificial neural networks (ANN) were then utilized to construct the QSAR models. These models were also utilized to nonlinearly select the most efficient subsets of descriptors in a cross-validation procedure for nonlinear log (1/EC50) prediction. The obtained results using GA-ANN were compared with MLR-MLR and MLR-ANN models. The obtained models showed high prediction ability with root mean sum square error (RMSE) of 0.99, 0.91 and 0.67 for MLR, MLR-ANN and GA-ANN models, respectively (N=40).
Keywords: Genetic algorithm; artificial neural network; multiple linear regressions; HIV;
Quantitative Structure – Activity Relationship;
1. Introduction
The process of human immunodeficiency virus-1( HIV-1) entry into host cells, offers considerable potential for therapeutic intervention, with viral entry proceeding through multiple sequential steps involving attachment, coreceptor binding, and fusion (8, 13). The early step of viral entry into the host cell is accomplished through binding of the viral envelope glycoprotein complex gp160 to the cellular receptor, CD4. This attachment is followed by conformational changes of the gp160 external glycoprotein portion, gp120, which facilitates the second step involving binding to a cellular co-receptor, usually the chemokine recep...
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Two major types of HIV exist: type 1 and type 2. Both viruses cause AIDS, but have divergent characteristics. HIV-1 is largely responsible for the worldwide HIV pandemic, given its increased transmissibility, virulence, and prevalence compared to HIV-2. HIV-2 infection is most prominent in West Africa, exhibiting less severe disease and a longer stage of asymptomatic infection3,4. Therefore, this review focuses on HIV-1. Much of the recent work on this virus has been devoted to developing new targets for antiretroviral drugs, candidate vaccines, and improved animal models. This review contains an overview of HIV-1 and discusses current research progress.
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Acquired Immunodeficiency Syndrome (AIDS) first came to light in 1981. There has been a long and arduous global effort on the prevention of HIV/AIDS. HIV is a virus that is spread through body fluids that affect the specific T-cells of the immune system. Without treatment HIV infection leads to AIDS and there is no cure for AIDS. HIV infection can be controlled and the importance of primary pre...
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Both printed media and electronic media are in a constant state comparison, both competing to super pass each other. Both of the medium have their own unique features through their advantage, disadvantages and popularity. This basic point of the comparison.
The Internet’s influence on our lives has spread throughout. According a 2009 US Census survey 74% of Americans use the internet and have access within their household.A number that has increased every year since 1990 and will sure grow in the future. In this survey they relieved that they did various activities on the internet including social media, (Facebook and Twitter) researching and reading news articles, watching YouTube videos, shopping and so much more all can be done with a computer or Internet enabled phone. With this ease of use and convenience it casts a shadow upon the future of printed and broadcast information. The Web’s instant and vast knowledge bank has changed ...
Drug is a chemical which alters the processes in the organism, which is used in the medicine for prevention, diagnosis and treatment of the diseases (Farlex, 2011). Drug discovery is a long term process that needs money investment. The process of drug investigation takes approximately from 9 to 15 years during which the number of chemicals that can become drug is reduced from 10,000 to 1-2 (Saparov, 2011). Even after manufacturing the drug is studied by scientists for modifying its structure, delivery and effects on the organism. Drug discovery consists of several stages which help to examine its effectiveness and side effects.