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15 articles for “hydrogen bond”
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Research ArticleOpen accessPhrase in the titleHydrophobic, Polar and Hydrogen Bonding Based Drug-Receptor Interaction of TetrahydroimidazobenzodiazepinonesV.K. Sahu, A.K.R. Khan, R.K. Singh, P.P. SinghAnti-HIV drug discovery has been increasingly focusing on HIV-1-RT (reverse transcriptase) as a potential therapeutic target. Tetrahydroimidazobenzodiazepinone (TIBO) belongs to non-nucleoside group of reverse transcriptase inhibitors (NNRTIs). A computational chemistry study has been performed on a series of tetrahydroimidazo-benzodiazepinones as HIV-1-NNRT inhibitors. Problem statement: In order to search out new drug of desired activity from the lead compounds, there was … …American Journal of Immunology, Vol. 4, Issue 3 · 30 Sep 2008 · 8,837 accessesView PDFCite
Research ArticleOpen accessPhrase in the titleIntrahydrogen Bonding and Transition States Between Enol and Enethiol Tautomers in β-ThioxoketonesBahjat A. Saeed, Rita S. Elias, Ebraheem Abdu MusadProblem statement: Hydrogen bonding is one of the most important concepts in chemistry because it is crucial to understand many different interactions both in gas phase and in condensed media. A particular subset is presented by the intramolecular hydrogen bonds where two ends of the same molecule interact, resulting in a ringlike structure. Approach: The study involved theoretical investigation of … …American Journal of Applied Sciences, Vol. 8, Issue 8 · 18 Jul 2011 · 7,452 accessesView PDFCite
Research ArticleOpen accessIn the keywordsThe Effect of NaCl on the Stability of Ab3 Lipase from Sphingobacterium sp. that Co-Expressed with LEA K Using In silico ApproachIbrahim Muhammad et al.This study explores how sodium chloride (NaCl) influences the binding affinity and stability of the Ab3 lipase-LEA K complex when interacting with olive oil, using molecular docking techniques. The docking simulations, conducted with AutoDock Vina, reveal that the presence of NaCl significantly enhances the binding affinity of the enzyme-substrate complex, increasing it from-6.55 kcal/mol in the absence of salt to-7.81 … …American Journal of Biochemistry and Biotechnology, Vol. 21, Issue 1 · 9 Mar 2025 · 5,599 accessesView PDFCite
Research ArticleOpen accessIn the keywordsControl of Incoming H2/O2 Flows in a PEM Fuel CellDhia Mzoughi, Nabila Khili, Hatem Allagui, Abdelkader MamiIt has become crucial, with the dwindling of energy resources related to the depletion risk of fossil and fissile resources, to find energy alternatives which have the same properties as those of a hydrocarbon in terms of transport and storage. In this context, the fuel cell appears as a very serious element both at the industrial and research levels. The … …American Journal of Applied Sciences, Vol. 12, Issue 1 · 26 Feb 2015 · 7,276 accessesView PDFCite
Research ArticleOpen accessIn the keywordsBioactive Compounds Screening from Zingiberaceae Family as Influenza A/Swine Flu Virus Neuraminidase Inhibitor through Docking ApproachUsman Sumo Friend Tambunan, Fadilah, Arli Aditya ParikesitProblem statement: Influenza A/H1N1 is a disease caused by infection of influenza a virus subtype H1N1. It is a major health problem in tropical and subtropical countries. This virus constantly mutates and consequently will be developed into new drug-resistant strains. Approach: In this research, we have conducted docking study to screen bioactive compounds from Zingiberaceae family, which has a role … …OnLine Journal of Biological Sciences, Vol. 10, Issue 4 · 31 Dec 2010 · 8,616 accessesView PDFCite
Research ArticleOpen accessIn the keywordsAnalysis of Resistance to Human Immunodeficiency Virus Protease Inhibitors Using Molecular Mechanics and Machine Learning StrategiesA. Harishchander, D. Alex Anand, Sanjib SenapatiProblem statement: Drug resistance is the most important factor, which influences the failure of current HIV therapies. So, the ability to predict the drug resistance of HIV-1 protease mutants will be useful in developing more effective and longer lasting treatment regimens. Approach: Drug resistance of HIV-1 protease is predicted with two current protease inhibitors (Indinavir and Saquinavir). The problem was … …Current Research in Medicine, Vol. 1, Issue 2 · 31 Oct 2010 · 7,204 accessesView PDFCite
Research ArticleOpen accessIn the keywordsBinding Studies of Natural Product Berberine with DNA G-QuadruplexNagendra K. Sharma, Pooja Lunawat, Manjusha DixitProblem statement: The ends of chromosome had highly repetitive short G and C-rich sequences of DNA. These sequences were known to form stable tetraplex type of secondary structures which help to maintain gene integratity after cell divison. Approach: Any reagent which controls the random cell division would be useful to design anticancer drugs. Therefore a many natural and synthesized molecules … …American Journal of Biochemistry and Biotechnology, Vol. 7, Issue 3 · 22 Sep 2011 · 8,797 accessesView PDFCite
Research ArticleOpen accessIn the abstractThermodynamic Inference of the Antioxidant Process of Malic Acid and Its Structural AnalogsHan Wu, Wenhao Dong et al.Two structural analogs of Malic Acid (MA), 2-isopropylmalic Acid (2-IPMA), and 3-isopropylmalic Acid (3-IPMA) were recently identified and separated from wine. Although they have been shown to have antioxidant activity, the mechanism of their actions is still unclear. Antioxidant activities of 2-IPMA and MA were tested through DPPH, ABTS, and PTIO methods and the antioxidant-related thermodynamic properties were evaluated using … …American Journal of Biochemistry and Biotechnology, Vol. 20, Issue 4 · 30 Oct 2024 · 4,824 accessesView PDFCite
Research ArticleOpen accessIn the abstractThe Effect of Trilobatin on Bovine Serum Albumin: Interaction Mechanism and Molecular DockingYuhan Zhai, Yuqing Zhang, Yaping Li et al.Understanding the transport and distribution of small molecules in vivo is aided by studying their interactions with proteins. As a natural sweetener, trilobatin possesses several biological activities. However, uncertainty surrounds the trilobatin and Bovine Serum Albumin (BSA) interaction mechanism. In this study, the binding types, number of binding sites and binding constants of trilobatin interaction with BSA were studied by … …American Journal of Biochemistry and Biotechnology, Vol. 20, Issue 1 · 29 Mar 2024 · 4,843 accessesView PDFCite
Research ArticleOpen accessIn the abstractInvestigation of the Contribution of Late Embryogenesis Abundant (LEA) K Peptide in Enhancing the Expression of Lipase from Sphingobacterium sp.: In vitro and in Silico StudiesIbrahim Muhammad et al.Sphingobacterium sp. AB3 lipase is a psychrophilic enzyme with optimal lipolytic activity at pH 7 and 15°C. The cold-adapted properties of the lipase render it suitable for various low-temperature industrial applications such as biodiesel production, detergent formulation, and non-thermal food processing. Recent studies have shown that co-expression of LEA K peptide with AB3 lipase resulted in enhanced protein expression in … …American Journal of Biochemistry and Biotechnology, Vol. 20, Issue 4 · 21 Nov 2024 · 4,569 accessesView PDFCite