158 results on '"Kolocouris A"'
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2. Conformational heterogeneity and structural features for function of the prototype viroporin influenza AM2
3. Study of SQ109 analogs binding to mycobacterium MmpL3 transporter using MD simulations and alchemical relative binding free energy calculations
4. Accurate calculation of affinity changes to the close state of influenza A M2 transmembrane domain in response to subtle structural changes of adamantyl amines using free energy perturbation methods in different lipid bilayers
5. Amantadine variant – aryl conjugates that inhibit multiple M2 mutant – amantadine resistant influenza a viruses
6. Synthesis and in vitro proof-of-concept studies on bispecific iron oxide magnetic nanoparticles targeting PSMA and GRP receptors for PET/MR imaging of prostate cancer
7. Hit-to-Lead Optimization of Heterocyclic Carbonyloxycarboximidamides as Selective Antagonists at Human Adenosine A3 Receptor.
8. Amantadine has potential for the treatment of COVID-19 because it inhibits known and novel ion channels encoded by SARS-CoV-2
9. Improved Synthesis of the Antitubercular Agent SQ109
10. Amantadine variant – aryl conjugates that inhibit multiple M2 mutant – amantadine resistant influenza a viruses
11. Molecular Biophysics of Class A G Protein Coupled Receptors–Lipids Interactome at a Glance—Highlights from the A2A Adenosine Receptor
12. Comprehensive Overview of Homogeneous Gold-Catalyzed Transformations of π-Systems for Application Scientists
13. Discovery of SARS-CoV‑2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay
14. Copper-Catalyzed One-Pot Synthesis of Thiazolidin-2-imines.
15. Amantadine copper(II) chloride conjugate with possible implementation in influenza virus inhibition
16. Structure and drug binding of the SARS-CoV-2 envelope protein transmembrane domain in lipid bilayers
17. Amantadine inhibits known and novel ion channels encoded by SARS-CoV-2 in vitro
18. Approaches to primary tert-alkyl amines as building blocks
19. Formation and Intramolecular Capture of α-Imino Gold Carbenoids in the Au(I)-Catalyzed [3 + 2] Reaction of Anthranils, 1,2,4-Oxadiazoles, and 4,5-Dihydro-1,2,4-Oxadiazoles with Ynamides
20. Author Correction: Amantadine inhibits known and novel ion channels encoded by SARS-CoV-2 in vitro
21. Pharmacological characterisation of novel adenosine A3 receptor antagonists
22. Structure-Based Lead Optimization of Enterovirus D68 2A Protease Inhibitors.
23. PET Diagnostic Molecules Utilizing Multimeric Cyclic RGD Peptide Analogs for Imaging Integrin αvβ3 Receptors
24. A Study of the Activity of Adamantyl Amines against Mutant Influenza A M2 Channels Identified a Polycyclic Cage Amine Triple Blocker, Explored by Molecular Dynamics Simulations and Solid‐State NMR**.
25. 2-Substituted and 2,2-disubstituted adamantane derivatives as models for studying substituent chemical shifts and C–Hax⋯Yax cyclohexane contacts—results from experimental and theoretical NMR spectroscopic chemical shifts and DFT structures
26. Molecular Biophysics of Class A G Protein Coupled Receptors–Lipids Interactome at a Glance—Highlights from the A 2A Adenosine Receptor.
27. Comprehensive Overview of Homogeneous Gold-Catalyzed Transformations of π-Systems for Application Scientists.
28. New aminoadamantane derivatives with antiproliferative activity
29. A proof-of-concept study of the secondary structure of influenza A, B M2 and MERS- and SARS-CoV E transmembrane peptides using folding molecular dynamics simulations in a membrane mimetic solvent.
30. On the mechanism of the Au(I)‐mediated addition of alkynes to anthranils to furnish 7‐acylindoles.
31. Design and synthesis of bioactive adamantanaminoalcohols and adamantanamines
32. Design and synthesis of 1,2-annulated adamantane piperidines with anti-influenza virus activity
33. Dual A1/A3 Adenosine Receptor Antagonists: Binding Kinetics and Structure−Activity Relationship Studies Using Mutagenesis and Alchemical Binding Free Energy Calculations.
34. Formation and Intramolecular Capture of α-Imino Gold Carbenoids in the Au(I)-Catalyzed [3 + 2] Reaction of Anthranils, 1,2,4-Oxadiazoles, and 4,5-Dihydro-1,2,4-Oxadiazoles with Ynamides.
35. The effect of neighboring 1- and 2-adamantyl group substitution on the conformations and stereodynamics of N-methylpiperidine. Dynamic NMR spectroscopy and molecular mechanics calculations
36. Heterocyclic rimantadine analogues with antiviral activity
37. Investigation of Tumor Cells and Receptor-Ligand Simulation Models for the Development of PET Imaging Probes Targeting PSMA and GRPR and a Possible Crosstalk between the Two Receptors.
38. Discovery of a High Affinity Adenosine A1/A3 Receptor Antagonist with a Novel 7‑Amino-pyrazolo[3,4‑d]pyridazine Scaffold.
39. Molecular and crystal structures of a tricyclic γ-lactam ketone and its Mannich base
40. Heterocyclic rimantadine analogues with antiviral activity
41. A novel analytical method to detect adulteration of virgin olive oil by other oils
42. The novel GABA adamantane derivative (AdGABA): design, synthesis, and activity relationship with gabapentin
43. Thermal rearrangement of spiro[naphthalene(naphthopyranofurazan)]oxides to spiro[naphthalene(phenalenofurazan)oxides. A probable furazan oxide triggered tandem isomerisation process
44. Amantadine has potential for the treatment of COVID-19 because it inhibits known and novel ion channels encoded by SARS-CoV-2.
45. Synthesis of 2-(2-adamantyl)piperidines and structure anti-influenza virus a activity relationship study using a combination of NMR spectroscopy and molecular modeling
46. Ebselen, Disulfiram, Carmofur, PX-12, Tideglusib, and Shikonin Are Nonspecific Promiscuous SARS-CoV‑2 Main Protease Inhibitors.
47. The balance between side‐chain and backbone‐driven association in folding of the α‐helical influenza A transmembrane peptide.
48. Chemical Probes for Blocking of Influenza A M2 Wild-type and S31N Channels.
49. Investigation of the Drug Resistance Mechanism of M2-S31N Channel Blockers through Biomolecular Simulations and Viral Passage Experiments.
50. Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist Using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis.
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