8 results for “conducted docking study”

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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 PDF Cite

Research ArticleOpen accessIn the abstractIn silico and in vitro Structural Analysis on the Interaction of Calmodulin and Calmodulin-Binding Motif of FKBP35 from Plasmodium knowlesiSazlinawatie Aladin, Cahyo Budiman et al.FK506-binding protein 35 (FKBP35) is a peptidyl-prolyl cis-trans isomerase found in Plasmodium knowlesi, a zoonotic malaria parasite responsible for concerning cases of malaria infection in East Malaysia. This protein contains a segment known as the calmodulin-binding motif (Pk-CBM), which is predicted to facilitate interaction with calmodulin from P. knowlesi (Pk-CaM). Although this interaction is considered promising for future antimalarial drug … …OnLine Journal of Biological Sciences, Vol. 25, Issue 2 · 10 Mar 2025 · 4,846 accessesView PDF Cite

Research ArticleOpen accessIn the abstractThe 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 PDF Cite

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 PDF Cite

Research ArticleOpen accessIn the abstractHOMOLOGY MODELING AND MOLECULAR DYNAMICS STUDIES OF EC1 DOMAIN OF VE-CADHERIN TO ELUCIDATE DOCKING INTERACTION WITH CADHERIN-DERIVED PEPTIDEVivitri Dewi Prasasty, Usman Sumo Friend Tambunan, Teruna Jaya SiahaanVE-cadherin is a protein in the cadherin family that is found at the adherens junctions of the microvessel endothelial cells of the Blood-Brain Barrier (BBB). It is recognized as the homotypic cell adhesion molecules and there is limited structural information on how VE-cadherins mediate cell-cell adhesion. It has been shown that the EC1 domain of cadherins is important for the … …OnLine Journal of Biological Sciences, Vol. 14, Issue 2 · 25 Jun 2014 · 7,530 accessesView PDF Cite

Research ArticleOpen accessIn the abstractIn Silico and in Vitro Studies: Tryparedoxin Peroxidase Inhibitor Activity of Methotrexate for Antileishmanial ActivityRavi Kumar Gundampati, Shraddha Sahu, Avinash Kumar Srivastava et al.In order to understand the mechanism of molecular interactions at the active site of Tryparedoxin Peroxidase (Try P), homology modeling and docking studies were performed. We generated a Three-Dimensional (3D) model of target protein based on the Crystal structure of Leishmania Major Try PI (PDB ID: 3TUE) using modeler software. Docking analysis was carried out to study the effects of … …American Journal of Infectious Diseases, Vol. 9, Issue 4 · 28 Nov 2013 · 7,893 accessesView PDF Cite

Research ArticleOpen accessIn the abstractIn Silico, In Vitro and In Vivo Assessment of Safety and Anti-inflammatory Activity of CurcuminM. Venkata, R. Sripathy, D. Anjana et al.Problem statement: Curcumin the active component of turmeric is known for its wide biological actions. Extensive studies on curcumin highlighted its anti-inflammatory, anti-oxidant, anti-microbial, anti-carcinogenic and anti-coagulant activity. The anti-inflammatory activities of curcumin have been demonstrated both in vitro and in vivo. Though curcumin and its anti-inflammatory properties are well documented, the exact mechanism of action and effective in vivo … …American Journal of Infectious Diseases, Vol. 8, Issue 1 · 23 Feb 2012 · 8,999 accessesView PDF Cite

Research ArticleOpen accessIn the abstractMolecular Dynamics Simulation of DENV RNA-Dependent RNA-Polymerase with Potential Inhibitor of Disulfide Cyclic PeptideUsman Sumo Friend Tambunan, Raima Syahidah Noors, Arli Aditya Parikesit et al.Problem statement: Our researches have proposed two ligands of disulfide cyclic polypeptide, which are CDEEC and CDGSC as potential inhibitor of DENV RNA-dependent RNApolymerase by molecular docking. Approach: Methodological approach was conducted to determine the best ligand to act as inhibitor. Molecular docking simulation was conducted without a solvent in which enzyme was made rigid and ligand was left free … …OnLine Journal of Biological Sciences, Vol. 11, Issue 2 · 30 Sep 2011 · 8,441 accessesView PDF Cite