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topic_facet:"molecular docking"
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PubPharm (61)
1
In-silico guided design, screening, and molecular dynamic simulation studies for the identification of potential SARS-CoV-2 main protease inhibitors for the targeted treatment of COVID-19
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Gutti, G.
|
He, Y.
|
Coldren, W.
| +5
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2
Computational assessment of herbal medicine-derived compounds as potential inhibitors of SARS-CoV-2 main protease
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Tao, Y.
|
Qu, H.
|
Wang, S.
| +3
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3
3β-Acetoxy-21α-H-hop-22(29)ene, a novel multitargeted phytocompound against SARS-CoV-2 : in silico screening
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Siddique, S.
|
Kumar, R.
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4
Molecular docking, pharmacophore modelling, MD simulation and in silico ADMET study reveals bitter cola constituents as potential inhibitors of SARS-CoV-2 main protease and RNA dependent-RNA polymerase
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Oluyori, A.
|
Olanipekun, B.
|
Adeyemi, O.
| +3
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5
A Novel Ambroxol-Derived Tetrahydroquinazoline with a Potency against SARS-CoV-2 Proteins
enthalten in:
International journal of molecular sciences
| 2023
von
Krysantieva, A.
|
Voronina, J.
|
Safin, D.
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6
A Drug Repurposing Approach to Identify Therapeutics by Screening Pathogen Box Exploiting SARS-CoV-2 Main Protease
enthalten in:
Chemistry & biodiversity
| 2023
von
Tyagi, R.
|
Paul, A.
|
Raj, V.
| +5
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7
Potential mechanism underlying the effect of matrine on COVID-19 patients revealed through network pharmacological approaches and molecular docking analysis
enthalten in:
Archives of physiology and biochemistry
| 2023
von
Peng, W.
|
Xu, Y.
|
Han, D.
| +5
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8
Withanolides of Athenaea velutina with potential inhibitory properties against SARS coronavirus main protease (mpro) : molecular modeling studies
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Abreu Alves, P.
|
Dantas Rocha, K.
|
Bezerra, L.
| +3
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9
Potential targets of severe acute respiratory syndrome coronavirus 2 of clinical drug fluvoxamine : Docking and molecular dynamics studies to elucidate viral action
enthalten in:
Cell biochemistry and function
| 2023
von
Panda, S.
|
Gupta, P.
|
Rana, M.
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10
Molecular Docking Study of Potential Antimicrobial Photodynamic Therapy as a Potent Inhibitor of SARS-CoV-2 Main Protease : An In silico Insight
enthalten in:
Infectious disorders drug targets
| 2023
von
Pourhajibagher, M.
|
Bahador, A.
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Thema: molecular docking
Medienart
61
Aufsätze
61
E-Artikel
61
E-Ressourcen
Zeitschriftentitel
21
Journal of biomolecular structure & dynamics
12
Molecules (Basel, Switzerland)
4
Natural product research
3
International journal of molecular sciences
2
Combinatorial chemistry & high throughput scree...
2
Drug development research
2
Viruses
1
Aging
1
Archives of physiology and biochemistry
1
Biomolecules
1
Briefings in bioinformatics
1
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1
Chemistry & biodiversity
1
Current pharmaceutical biotechnology
1
Infectious disorders drug targets
1
Journal of basic and clinical physiology and ph...
1
Journal of environmental science and health. Pa...
1
Journal of proteome research
1
Medicina (Kaunas, Lithuania)
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Thema
61
Journal Article
molecular docking
49
COVID-19
44
EC 3.4.22.-
40
Coronavirus 3C Proteases
40
EC 3.4.22.28
40
Protease Inhibitors
34
Antiviral Agents
27
3C-like proteinase, SARS-CoV-2
24
SARS-CoV-2
14
Cysteine Endopeptidases
14
Viral Nonstructural Proteins
12
EC 3.4.22.2
12
Research Support, Non-U.S. Gov't
10
main protease
10
molecular dynamics
9
EC 3.4.-
9
Peptide Hydrolases
9
Phytochemicals
8
Ligands
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Erscheinungszeitraum
1
2024
10
2023
28
2022
14
2021
8
2020
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61
Englisch
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