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Molecular docking studies of dithionitrobenzoic acid and its related compounds to protein disulfide isomerase: computational screening of inhibitors to HIV-1 entry
BackgroundEntry of HIV-1 into human lymphoid requires activities of viral envelope glycoproteins gp120 and gp41, and two host-cell proteins, the primary receptor CD4 and a chemokine co-receptor. InExpand
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Bisphenol A impairs insulin signaling and glucose homeostasis and decreases steroidogenesis in rat testis: an in vivo and in silico study.
Bisphenol A (BPA) is a potential endocrine disruptor and testicular toxicant. Recently, we have reported that exposure to BPA increases plasma insulin and glucose levels and decreases the levels ofExpand
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Analysis of CYP3A4-HIV-1 protease drugs interactions by computational methods for Highly Active Antiretroviral Therapy in HIV/AIDS.
HIV infected patients often take at least three anti-HIV drugs together in Highly Active Antiretroviral Therapy (HAART) and/or Ritonavir-Boosted Protease Inhibitor Therapy (PI/r) to suppress theExpand
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Computer-Aided Drug Design for Cancer-Causing H-Ras p21 Mutant Protein
GTP-bound mutant form H-Ras (Harvey-Ras) proteins are found in 30% of human tumors. Activation of H-Ras is due to point mutation at positions 12, 13, 59 and/or 61 codon. Mutant form of H-Ras proteinsExpand
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ZifBASE: a database of zinc finger proteins and associated resources
BackgroundInformation on the occurrence of zinc finger protein motifs in genomes is crucial to the developing field of molecular genome engineering. The knowledge of their target DNA-bindingExpand
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A use of homology modeling and molecular docking methods: to explore binding mechanisms of nonylphenol and bisphenol A with antioxidant enzymes.
Bisphenol A (BPA) and nonylphenol (NP) are phenolic compounds used widely by the industries. BPA and NP are endocrine disruptors possessing estrogenic properties. Several studies have reported thatExpand
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Quantitative Structure-Activity Relationship (QSAR): Modeling Approaches to Biological Applications
Abstract Quantitative structure-activity relationship (QSAR) methods are important for prediction of biological effect of chemical compounds based on mathematical and statistical relations.Expand
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Towards understanding the regulation of rubber biosynthesis: Insights into the initiator and elongator enzymes
Natural rubber is an important polymer produced by plants and made up of isoprene units derived from isopentenyl diphosphate (IPP). Although more than 2000 plant species are known to produce naturalExpand
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Homology Modeling of Human Hairless Protein
The protein associated with hairless gene is known as “hairless protein”, which is necessary for hair growth and when it stops functioning then complete hairlessness will occur. This gene is locatedExpand
Bind-Predict: An algorithm for identifying zinc finger binding motifs in DNA sequences
Zinc fingers are the most abundant eukaryotic DNA-binding motifs, which recognize DNA triplets with high efficacy and are used to develop chimeric enzymes for genome modification and site specificExpand