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9 articles for “catalytic site”
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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 PDFCite
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 PDFCite
Research ArticleOpen accessIn the abstractEnhancement of Geobacillus thermodenitrificans Lipase Activity and Binding Affinity by Acetone Treatment: Kinetic and in silico InvestigationsAmmar Khazaal Kadhim Almansoori, Alyaa Abdulhussein Alsaedi et al.Lipase Geobacillus thermodenitrificans (LipGt) is a thermostable enzyme that has an optimal activity temperature of 65°C. It can tolerate various organic solvents and has an improved activity, especially in the presence of acetone. In this study, in-vitro and in-silico studies were carried out to investigate the effect of acetone in enhancing the kinetic and binding affinity of LipGt. The LipGt … …American Journal of Biochemistry and Biotechnology, Vol. 20, Issue 4 · 10 Oct 2024 · 4,817 accessesView PDFCite
Research ArticleOpen accessIn the abstractA Meat-Derived Lactic Acid Bacteria, Lactobacillus plantarum IIA, Expresses a Functional Parvulin-Like Protein with Unique Structural PropertyCahyo Budiman, Irma Isnafia Arief, Fernandes Opook, Muhammad YusufThe genome sequence of a Lactic Acid Bacterium (LAB) Lactobacillus plantarum IIA contains a single gene encoding a parvulin-like protein (Par-LpIIA). This protein belongs to Peptidyl Prolyl cis-trans Isomerase (PPIase) family proteins that catalyze a slow cis-trans isomerization of cis prolyl bond during protein folding. This study aims to provide molecular and biochemical evidences of the existence of Par-LpIIA in … …OnLine Journal of Biological Sciences, Vol. 21, Issue 1 · 26 Feb 2021 · 7,023 accessesView PDFCite
Research ArticleOpen accessIn the abstractIn Silico Cholinesterase and Monoamine Oxidase Inhibitory Activities of Perillaldehyde and D-Limonene, Main Compounds of Essential Oil of Algerian Ammodaucus leucotrichusNesrine Sadaoui-Smadhi, Souad Khemili-Talbi, Wadood Abdul et al.In a continuation of our previous work for the exploration of novel enzyme inhibitors, molecular modeling was used to inspect the binding mode of perillaldehyde and D-limonene, the major compounds of essential oil of Algerian Ammodaucus leucotrichus into the active site pocket of cholinesterase (AChE and BuChE) and Monoamine Oxidase (MAO). The molecular docking was carried out using Molecular Operating … …Current Research in Bioinformatics, Vol. 8, Issue 1 · 28 Feb 2020 · 7,313 accessesView PDFCite
Research ArticleOpen accessIn the abstractAmino Acid Sequence of Amylase Type Alpha, MiAmy, from Ok-Rong Mango (Mangifera indica Linn. cv. Ok-Rong)Raksmont Ubonbal, Saijai Posoongnoen, Jureerut Daduang et al.The 594-amino acid residue sequence of α-amylase, MiAmy, from the Ok-rong mango (Mangifera indica Linn. cv. Ok-rong), in the ripening stage, was determined through Reverse Transcription Polymerase Chain Reaction (RT-PCR). Sequence alignments and evolutionary tree analyses revealed its high similarity to plastid α-amylase from many other plants. The sequence was revealed to have four conserved regions with catalytic amino acid … …American Journal of Biochemistry and Biotechnology, Vol. 11, Issue 3 · 19 Aug 2015 · 7,215 accessesView PDFCite
Research ArticleOpen accessIn the abstractProbing the Substrate Specificity and Intersubunit Interactions of Brevundimonas Diminuta Glutaryl Acylase with Site-Directed MutagenesisMichael Eldarov, Anna Lyashenko, Tatyana Sherbakova et al.Glutaryl-7-ACA acylases (GLA) are industrial enzymes widely used for the production of 7-aminocepahlosporanic acid (7-ACA)-the starting compound for manufacturing of semisynthetic cephalosporin antibiotics. Generation of mutant GLA's with increased activity and stability, capability for single-step conversion of cephalosporin C (CPC) directly to 7-ACA is a promising route to improve the current biocatalytic technologies. In this study GLA from Brevundimonas diminuta … …American Journal of Biochemistry and Biotechnology, Vol. 10, Issue 3 · 12 Nov 2014 · 8,160 accessesView PDFCite
Research ArticleOpen accessIn the abstractIdentification of Pharmacological Targets Combining Docking and Molecular Dynamics SimulationsIlizaliturri-Flores Ian, Rosas-Trigueros Jorge Luis, Carrillo-Vazquez Jonathan Pablo et al.Studies that include both experimental data and computational simulations (in silico) have increased in number because the techniques are complementary. In silico methodologies are currently an essential component of drug design; moreover, identification and optimization of the best ligand based on the structures of biomolecules are common scientific challenges. Geometric structural properties of biomolecules explain their behavior and interactions and … …American Journal of Agricultural and Biological Sciences, Vol. 8, Issue 1 · 21 Mar 2013 · 8,128 accessesView PDFCite
Research ArticleOpen accessIn the abstractIntrinsically Unstructured Proteins: Potential Targets for Drug DiscoveryPathan Salma, Chintan Chhatbar, Sriram SeshadriProblem statement: The function of a protein is dependent on its three-dimensional structure. However, numerous proteins lacking intrinsic globular 3D structure under physiological conditions had been recognized. These proteins are frequently involved in some of the most critical cellular control mechanisms and it appears that their rapid turnover, aided by their unstructured nature in the unbound state, provides a level … …American Journal of Infectious Diseases, Vol. 5, Issue 2 · 30 Jun 2009 · 7,578 accessesView PDFCite