Chemical profile of Lippia thymoides, evaluation of the acetylcholinesterase inhibitory activity of its essential oil, and molecular docking and molecular dynamics simulations

Molecular dynamics simulation and binding free energy studies of novel leads belonging to the benzofuran class inhibitors of Mycobacterium tuberculosis Polyketide Synthase 13

(2018) Jorddy N. Cruz et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Planting and seasonal and circadian evaluation of a thymol-type oil from Lippia thymoides Mart. & Schauer

(2018) Sebastião G. Silva et al.   Chemistry Central Journal

Antioxidant, α-amylase, and acetylcholinesterase inhibitory activities of Hertia cheirifolia essential oils: Influence of plant organs and seasonal variation

(2017) Najoua Rahali et al.   INTERNATIONAL JOURNAL OF FOOD PROPERTIES

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

(2015) Samuel Genheden et al.   Expert Opinion on Drug Discovery

Composition, antioxidant, antimicrobial and enzyme inhibition activities of two Origanum vulgare subspecies (subsp. vulgare and subsp. hirtum) essential oils

(2015) Cengiz Sarikurkcu et al.   INDUSTRIAL CROPS AND PRODUCTS

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Variability in the essential oil content and composition in different plant organs ofKelussia odoratissimaMozaff. (Apiaceae) growing wild in Iran

(2015) Safiallah Raeisi et al.   JOURNAL OF ESSENTIAL OIL RESEARCH

Chemical composition and pharmacological properties of the essential oils obtained seasonally fromLippia thymoides

(2015) Fabrício Souza Silva et al.   PHARMACEUTICAL BIOLOGY

Activity of Essential Oils and Individual Components against Acetyland Butyrylcholinesterase

(2015) Ilkay Orhan et al.   ZEITSCHRIFT FUR NATURFORSCHUNG SECTION C-A JOURNAL OF BIOSCIENCES

Circadian and seasonal study of the cinnamate chemotype from Lippia origanoides Kunth

(2014) Alcy F. Ribeiro et al.   BIOCHEMICAL SYSTEMATICS AND ECOLOGY

Acetylcholinesterase Inhibitory Activity and Molecular Docking Study of 1-Nitro-2-Phenylethane, the Main Constituent ofAniba canelillaEssential Oil

(2014) Nayla N. S. Silva et al.   Chemical Biology & Drug Design

Essential oils of Amazon Piper species and their cytotoxic, antifungal, antioxidant and anti-cholinesterase activities

(2014) Joyce Kelly R. da Silva et al.   INDUSTRIAL CROPS AND PRODUCTS

Study of Essential Oil Content and Composition of Different Parts of Lemon verbena (Lippia citriodora) Grown in Iran

(2014) Reza Shahhoseini et al.   Journal of Essential Oil Bearing Plants

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

(2013) Romelia Salomon-Ferrer et al.   Journal of Chemical Theory and Computation

Anticholinesterase and antioxidant activities of Savoury (Satureja thymbra L.) with identified major terpenes of the essential oil

(2012) Mehmet Öztürk   FOOD CHEMISTRY

Antioxidant and Antiacetylcholinesterase Activities of Some Commercial Essential Oils and Their Major Compounds

(2011) Smail Aazza et al.   MOLECULES

Screening of traditional European herbal medicines for acetylcholinesterase and butyrylcholinesterase inhibitory activity

(2010) Natalia Wszelaki et al.   ACTA PHARMACEUTICA

Chemical analysis, antioxidant, antiinflammatory and anticholinesterase activities of Origanum ehrenbergii Boiss and Origanum syriacum L. essential oils

(2009) Monica R. Loizzo et al.   FOOD CHEMISTRY

Flexibility of Aromatic Residues in the Active-Site Gorge of Acetylcholinesterase: X-ray versus Molecular Dynamics

(2008) Yechun Xu et al.   BIOPHYSICAL JOURNAL

Characterization of a complete cycle of acetylcholinesterase catalysis by ab initio QM/MM modeling

(2008) Alexander V. Nemukhin et al.   JOURNAL OF MOLECULAR MODELING