By a News Reporter-Staff News Editor at AIDS Weekly -- Fresh data on Immune System Diseases and Conditions are presented in a new report. According to news reporting from Durban, South Africa, by NewsRx editors, the research stated, "Virtual screening is the computational mirror image of high-throughput screening and refers to the in silico evaluation of the biological activity of different molecular entities. Various virtual screening strategies and workflows have been adopted to enhance the process of identification of potential hits."
The news correspondents obtained a quote from the research from the University of KwaZulu-Natal, "Structure-based scoring relies solely on the interactions between the ligand and the target protein. Conversely, pharmacophore-based scoring relies on the shape complementation of each ligand candidate to a three-dimensional reference ligand. Herewith, we report a systematic integrated hybrid approach, along with the use of well-defined physicochemical and biological filters, to enhance high-ranking hit structures complementing the binding site architecture while also mimicking the three-dimensional features of known active ligands. With a lack of experimental data on the South African HIV protease enzyme (C-SA HIV PR), very limited research has been conducted to design inhibitors against this enzyme variant. In this paper, a focused integrated structure- and pharmacophore-based virtual screening protocol is introduced to identify potential leads to assist toward designing potent inhibitors against the C-SA PR variant."
According to the news reporters, the research concluded: "This rapid and systematic approach can potentially be implemented for the design and discovery of inhibitors against a wide range of biological targets."
For more information on this research see: A Hybrid Structure/Pharmacophore- Based Virtual Screening Approach to Design Potential Leads: A Computer-Aided Design of South African HIV-1 Subtype C Protease Inhibitors. Drug Development Research, 2013;74(5):283-295. Drug Development Research can be contacted at: Wiley-Blackwell, 111 River St, Hoboken 07030-5774, NJ, USA. (Wiley-Blackwell - www.wiley.com/; Drug Development Research - onlinelibrary.wiley.com/journal/10.1002/(ISSN)1098-2299)
Our news journalists report that additional information may be obtained by contacting M.E.S. Soliman, University of KwaZulu Natal, Sch Hlth Sci, ZA-4001 Durban, South Africa (see also Immune System Diseases and Conditions).
Keywords for this news article include: Durban, HIV/AIDS, Protease, Computers, RNA Viruses, South Africa, Retroviridae, HIV Infections, Vertebrate Viruses, Primate Lentiviruses, Enzymes and Coenzymes, Viral Sexually Transmitted Diseases, Immune System Diseases and Conditions
Our reports deliver fact-based news of research and discoveries from around the world. Copyright 2014, NewsRx LLC