Results 231 to 240 of about 452,634 (352)

Synthesis and Characterization of Photoswitchable Covalent Ligands for the β2‐Adrenoceptor

Angewandte Chemie, EarlyView.
A structure‐based design of a covalent photoswitchable ligand for the β2‐adrenergic receptor, a therapeutically relevant GPCR, is described. This tool facilitates the modification of the intrinsic activity of the protein by light. Computational analysis of its mechanism of action suggests that the photoswitch takes place within the binding pocket ...
Ulrike Wirth, Eduard Neu, Davide Provasi, Steffen Feustel, Maximilian F. Schmidt, Harald Hübner, Dorothée Weikert, Marta Filizola, Burkhard König, Peter Gmeiner   +9 more
wiley   +2 more sources

Astragalin improves cognitive disorder in Alzheimer's disease: Based on network pharmacology and molecular docking simulation. [PDF]

CNS Neurosci Ther
Du R, Pei H, He Z, Wang J, Zhou X, Li W, Zhu D, Zhang C.   +7 more
europepmc   +1 more source

Chemical Profiling, Antioxidant, Cytotoxic Activities and Molecular Docking Simulation of Carrichtera annua DC. (Cruciferae). [PDF]

Antioxidants (Basel), 2020
Eltamany EE, Elhady SS, Ahmed HA, Badr JM, Noor AO, Ahmed SA, Nafie MS.   +6 more
europepmc   +1 more source

Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment. [PDF]

J Biomol Struct Dyn, 2021
Ahmad S, Abbasi HW, Shahid S, Gul S, Abbasi SW.   +4 more
europepmc   +1 more source

PRMT3‐Mediated H4R3me2a Promotes Primary Age‐Related Tauopathy by Driving Tau Hyperphosphorylation in Neuron

Advanced Science, EarlyView.
This study identifies PRMT3‐mediated H4R3me2a as a critical driver of tau hyperphosphorylation in primary age‐related tauopathy. Mechanistic insights reveal that the PRMT3/H4R3me2a/miR‐448 axis suppresses IGF1R expression via epigenetic regulation, further dysregulating the PI3K/AKT/GSK3β pathway.
Haotian Liu, Xinnan Liu, Fengyuan Tian, Yashuang Chen, Jingying Li, Xue Wang, Wenying Qiu, Xia Wang, Chao Ma, Wei Ge   +9 more
wiley   +1 more source

THE COMPUTATION OF CYCLIC PEPTIDE WITH PROLIN-PROLIN BOND AS FUSION INHIBITOR OF DENV ENVELOPE PROTEIN THROUGH MOLECULAR DOCKING AND MOLECULAR DYNAMICS SIMULATION

, 2015
Arli Aditya Parikesit, Hilyatuzzahroh, Andreas S Nugroho, Amalia Hapsari, Usman Sumo Friend Tambunan   +4 more
openalex   +2 more sources

Molecular Docking and Dynamics (MD) Simulation of 6-gingerol and 6-shogaol Against Human Estrogen Receptor Alpha (ERɑ) [PDF]

, 2018
Faez Sharif, Afdzal Mohd Yunus, Rd. Rohmat Saedudin, Azzmer Azzar Abdul Hamid, Shahreen Kasim   +4 more
openalex   +1 more source

Spatio‐Temporal Processes of Diffusion‐Controlled Communication in Hierarchical Multi‐Compartments

Angewandte Chemie, EarlyView.
This study highlights the molecular communication of neighboring biomimetic populations in pH‐responsive hierarchically and non‐covalently organized multi‐compartments (HMC) through the assembly of micro‐ and nanocompartments. HMC unify key roles for cyclic spatio‐temporal diffusion processes and spatio‐temporal enzyme(‐like) reactions.
Xin Qiao, Haixu Chen, Andreas Schurig, Xiaoliang Wang, Yinyong Sun, Matthias Tobler, Susanne Boye, Kathrin Castiglione, Dietmar Appelhans, Xin Huang   +9 more
wiley   +2 more sources

Identification of Molecular Mechanisms of Ameloblastoma and Drug Repositioning by Integration of Bioinformatics Analysis and Molecular Docking Simulation. [PDF]

Bioinform Biol Insights
Chujan S, Vajeethaveesin N, Satayavivad J, Kitkumthorn N.   +3 more
europepmc   +1 more source

Molecular Docking Simulation Studies of Curcumin and Its Derivatives as Cyclin-Dependent Kinase 2 Inhibitors. [PDF]

Turk J Pharm Sci, 2020
Sumirtanurdin R, Sungkar S, Hisprastin Y, Sidharta KD, Nurhikmah DD.   +4 more
europepmc   +1 more source