A novel cyclobutane-derived thiazole–thiourea hybrid with a potency against COVID-19 and tick-borne encephalitis: synthesis, characterization, and computational analysis
出版年份 2023 全文链接
标题
A novel cyclobutane-derived thiazole–thiourea hybrid with a potency against COVID-19 and tick-borne encephalitis: synthesis, characterization, and computational analysis
作者
关键词
-
出版物
Journal of Sulfur Chemistry
Volume -, Issue -, Pages 1-18
出版商
Informa UK Limited
发表日期
2023-09-22
DOI
10.1080/17415993.2023.2260918
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- (2023) Nadezhda A. Garkusha et al. JOURNAL OF THE INDIAN CHEMICAL SOCIETY
- N'-isonicotinoylpicolinohydrazonamide: Synthesis, crystal structure, DFT and ADMET studies, and in silico inhibition properties toward a series of COVID-19 proteins
- (2023) Isabel Garcia-Santos et al. POLYHEDRON
- Computational Analysis of Molnupiravir
- (2022) Artem V. Sharov et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- A readily available structural analogue of integrastatins A and B: Insight into the crystal structure, Hirshfeld surface analysis and computational study
- (2022) Larisa E. Alkhimova et al. TETRAHEDRON
- Incidence of Tick-Borne Encephalitis during the COVID-19 Pandemic in Selected European Countries
- (2022) Zbigniew Zając et al. Journal of Clinical Medicine
- CB-Dock2: improved protein–ligand blind docking by integrating cavity detection, docking and homologous template fitting
- (2022) Yang Liu et al. NUCLEIC ACIDS RESEARCH
- Ambroxol: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study
- (2022) Larisa E. Alkhimova et al. POLYCYCLIC AROMATIC COMPOUNDS
- 6-Amino-2-(4-fluorophenyl)-4-(trifluoromethyl)quinoline: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study
- (2022) Maria G. Babashkina et al. POLYCYCLIC AROMATIC COMPOUNDS
- Molecular Organisation of Tick-Borne Encephalitis Virus
- (2022) Lauri I. A. Pulkkinen et al. Viruses-Basel
- Salen: Insight into the Crystal Structure, Hirshfeld Surface Analysis, Optical Properties, DFT, and Molecular Docking Studies
- (2022) Maria G. Babashkina et al. POLYCYCLIC AROMATIC COMPOUNDS
- 1-hydroxy-6,6-Dimethyl-3-Phenyl-1,6-Dihydropyridine-2,5-Dione as a Promising Inhibitor of the SARS-CoV-2 Proteins: insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study
- (2022) Maria G. Babashkina et al. POLYCYCLIC AROMATIC COMPOUNDS
- Severe tick-borne encephalitis in a patient recovered from COVID 19
- (2022) Agata Czarnowska et al. Ticks and Tick-Borne Diseases
- Synthesis, Characterization and Computational Analysis of Thiophene-2,5-Diylbis((3-Mesityl-3-Methylcyclobutyl)Methanone)
- (2022) Pelin Koparir et al. POLYCYCLIC AROMATIC COMPOUNDS
- In silico analyses of betulin: DFT studies, corrosion inhibition properties, ADMET prediction, and molecular docking with a series of SARS-CoV-2 and monkeypox proteins
- (2022) Tatyana M. Burkhanova et al. STRUCTURAL CHEMISTRY
- In Vitro Screening and MD Simulations of Thiourea Derivatives against SARS-CoV-2 in Association with Multidrug Resistance ABCB1 Transporter
- (2022) Mohammad Assad et al. ACS Omega
- Potential drug targets of SARS-CoV-2: From genomics to therapeutics
- (2021) Anas Shamsi et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- A chiral (1R,2R)-N,N′-bis-(salicylidene)-1,2-diphenyl-1,2-ethanediamine Schiff base dye: synthesis, crystal structure, Hirshfeld surface analysis, computational study, photophysical properties and in silico antifungal activity
- (2021) Alexey A. Shiryaev et al. Journal of the Iranian Chemical Society
- AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings
- (2021) Jerome Eberhardt et al. Journal of Chemical Information and Modeling
- Favipiravir: insight into the crystal structure, Hirshfeld surface analysis and computational study
- (2021) Maria G. Babashkina et al. Journal of the Iranian Chemical Society
- α-Aminophosphonates 4-XC6H4–NH–CH(4-BrC6H4)–P(O)(OiPr)2 (X = H, Br, MeO): Crystal structures, Hirshfeld surface analysis, computational studies and in silico molecular docking with the SARS-CoV-2 proteins
- (2021) Larisa E. Alkhimova et al. TETRAHEDRON
- Target-based drug discovery, ADMET profiling and bioactivity studies of antibiotics as potential inhibitors of SARS-CoV-2 main protease (Mpro)
- (2021) Misbaudeen Abdul-Hammed et al. VirusDisease
- Naphthalene-based bis-N-salicylidene aniline dyes: Crystal structures, Hirshfeld surface analysis, computational study and molecular docking with the SARS-CoV-2 proteins
- (2021) Tatyana M. Burkhanova et al. Journal of the Iranian Chemical Society
- COVID-19 immunizations in occupational medicine
- (2021) Ernest Kuchar et al. MEDYCYNA PRACY
- Computational analysis of aspirin
- (2021) Larisa E. Alkhimova et al. JOURNAL OF MOLECULAR STRUCTURE
- Chiral Thioureas—Preparation and Significance in Asymmetric Synthesis and Medicinal Chemistry
- (2020) Franz Steppeler et al. MOLECULES
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- (2020) Yin‐Xiao Du et al. CLINICAL PHARMACOLOGY & THERAPEUTICS
- Remdesivir: A Review of Its Discovery and Development Leading to Emergency Use Authorization for Treatment of COVID-19
- (2020) Richard T. Eastman et al. ACS Central Science
- An RNA-dependent RNA polymerase inhibitor for tick-borne encephalitis virus
- (2020) Varun Gejji et al. VIROLOGY
- RCSB Protein Data Bank: Architectural Advances Towards Integrated Searching and Efficient Access to Macromolecular Structure Data from the PDB Archive
- (2020) Yana Rose et al. JOURNAL OF MOLECULAR BIOLOGY
- Molecular Docking: Shifting Paradigms in Drug Discovery
- (2019) Luca Pinzi et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Role of sulphur-heterocycles in medicinal chemistry: An update
- (2019) Shelly Pathania et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Heterocycles in Medicinal Chemistry
- (2019) Josef Jampilek MOLECULES
- ProTox-II: a webserver for the prediction of toxicity of chemicals
- (2018) Priyanka Banerjee et al. NUCLEIC ACIDS RESEARCH
- Current developments in chemistry, coordination, structure and biological aspects of 1-(acyl/aroyl)-3- (substituted)thioureas: advances Continue …
- (2018) Aamer Saeed et al. Journal of Sulfur Chemistry
- SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
- (2017) Antoine Daina et al. Scientific Reports
- Heterocyclic Anticancer Compounds: Recent Advances and the Paradigm Shift towards the Use of Nanomedicine’s Tool Box
- (2015) Pedro Martins et al. MOLECULES
- The role of ligand efficiency metrics in drug discovery
- (2014) Andrew L. Hopkins et al. NATURE REVIEWS DRUG DISCOVERY
- A review on the chemistry, coordination, structure and biological properties of 1-(acyl/aroyl)-3-(substituted) thioureas
- (2013) Aamer Saeed et al. Journal of Sulfur Chemistry
- Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
- (2012) Xuan-Yu Meng et al. Current Computer-Aided Drug Design
- Oxidation of thiourea and substituted thioureas: a review
- (2011) Sandhyamayee Sahu et al. Journal of Sulfur Chemistry
- Principles of early drug discovery
- (2010) JP Hughes et al. BRITISH JOURNAL OF PHARMACOLOGY
- Historical Analysis of the 1889–1890 Pandemic in Europe
- (2008) A.J. Valleron et al. INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES
- Ligand Binding Efficiency: Trends, Physical Basis, and Implications
- (2008) Charles H. Reynolds et al. JOURNAL OF MEDICINAL CHEMISTRY
- Tick-borne encephalitis
- (2008) Lars Lindquist et al. LANCET
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