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topic_facet:"molecular docking"
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PubPharm (35)
1
Drug repurposing : identification of SARS-CoV-2 potential inhibitors by virtual screening and pharmacokinetics strategies
enthalten in:
Journal of infection in developing countries
| 2024
von
Rashid, Z.
|
Fatima, A.
|
Khan, A.
| +7
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2
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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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
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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5
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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6
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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7
Structure-Based Virtual Screening and Functional Validation of Potential Hit Molecules Targeting the SARS-CoV-2 Main Protease
enthalten in:
Biomolecules
| 2022
von
Moovarkumudalvan, B.
|
Geethakumari, A.
|
Ramadoss, R.
| +2
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8
Celastrol : A lead compound that inhibits SARS-CoV-2 replication, the activity of viral and human cysteine proteases, and virus-induced IL-6 secretion
enthalten in:
Drug development research
| 2022
von
Fuzo, C.
|
Martins, R.
|
Fraga-Silva, T.
| +12
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9
Design and synthesis of novel phe-phe hydroxyethylene derivatives as potential coronavirus main protease inhibitors
enthalten in:
Journal of biomolecular structure & dynamics
| 2022
von
Khorsandi, Z.
|
Afshinpour, M.
|
Molaei, F.
| +4
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10
Phytochemicals of Zingiberaceae family exhibit potentiality against SARS-CoV-2 main protease identified by a rational computer-aided drug design
enthalten in:
Natural product research
| 2022
von
Debnath, S.
|
Bhaumik, S.
|
Sen, D.
| +1
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Thema: molecular docking
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Thema: Antiviral Agents
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35
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Zeitschriftentitel
10
Journal of biomolecular structure & dynamics
7
Molecules (Basel, Switzerland)
3
Natural product research
2
International journal of molecular sciences
2
Viruses
1
Biomolecules
1
Briefings in bioinformatics
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Journal of infection in developing countries
1
SAR and QSAR in environmental research
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Thema
Antiviral Agents
35
Journal Article
molecular docking
29
COVID-19
26
Protease Inhibitors
24
Coronavirus 3C Proteases
24
EC 3.4.22.28
22
EC 3.4.22.-
15
SARS-CoV-2
12
3C-like proteinase, SARS-CoV-2
11
Cysteine Endopeptidases
11
Viral Nonstructural Proteins
8
Research Support, Non-U.S. Gov't
7
EC 3.4.22.2
6
EC 3.4.-
6
Peptide Hydrolases
6
main protease
6
molecular dynamics
5
Ligands
4
EC 2.7.7.48
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Erscheinungszeitraum
2
2024
4
2023
16
2022
8
2021
5
2020
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