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PubPharm (113)
1
A Comprehensive Study to Unleash the Putative Inhibitors of Serotype2 of Dengue Virus : Insights from an In Silico Structure-Based Drug Discovery
enthalten in:
Molecular biotechnology
| 2024
von
Halder, S.
|
Ahmad, I.
|
Shathi, J.
| +9
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2
Insight into crystal structures and identification of potential styrylthieno[2,3-b]pyridine-2-carboxamidederivatives against COVID-19 Mpro through structure-guided modeling and simulation approach
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
El Bakri, Y.
|
Ahmad, B.
|
Saravanan, K.
| +8
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3
Molecular modeling and biological investigation of novel s-triazine linked benzothiazole and coumarin hybrids as antimicrobial and antimycobacterial agents
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Zala, A.
|
Kumar, D.
|
Razakhan, U.
| +4
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4
Synthesis, biological evaluation and molecular modeling studies of modulated benzyloxychalcones as potential acetylcholinesterase inhibitors
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Abdalla Ali, A.
|
Mhamad, S.
|
Hasan, A.
| +6
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5
Cytotoxic and phytochemical screening of Solanum lycopersicum–Daucus carota hydro-ethanolic extract and in silico evaluation of its lycopene content as anticancer agent
enthalten in:
Open chemistry
| 2024
von
Ademosun, O.
|
Agwamba, E.
|
Ahmad, I.
| +4
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6
Flavonostilbenes natural hybrids from Rhamnoneuron balansae as potential antitumors targeting ALDH1A1 : molecular docking, ADMET, MM-GBSA calculations and molecular dynamics studies
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Elsaman, T.
|
Ahmad, I.
|
Eltayib, E.
| +5
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7
Isolation, characterization, and multimodal evaluation of novel glycolipid biosurfactant derived from Bacillus species : A promising Staphylococcus aureus tyrosyl-tRNA synthetase inhibitor through molecular docking and MD simulations
enthalten in:
International journal of biological macromolecules
| 2024
von
Das, R.
|
Sahoo, S.
|
Paidesetty, S.
| +6
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8
Computational and in vitro screening validates the repositioning potential of Coxibs as anti-fibrotic agents
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Karande, S.
|
Das, B.
|
Acharya, S.
| +9
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9
Identification of dual-target isoxazolidine-isatin hybrids with antidiabetic potential : Design, synthesis, in vitro and multiscale molecular modeling approaches
enthalten in:
Heliyon
| 2024
von
Ghannay, S.
|
Aldhafeeri, B.
|
Ahmad, I.
| +4
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10
In silico analysis to identify potential antitubercular molecules in Morus alba through virtual screening and molecular dynamics simulations
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Khan, M.
|
Khan, S.
|
Alshammary, F.
| +6
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Journal of biomolecular structure & dynamics
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In Silico Pharmacology
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ACS omega
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Molecular diversity
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International journal of biological macromolecules
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89
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molecular docking
18
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11
Molecular docking
10
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Anti-Bacterial Agents
9
Anti-Infective Agents
9
molecular dynamics
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MMGBSA
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EC 2.7.10.1
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ErbB Receptors
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Protein Kinase Inhibitors
7
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6
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6
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5
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Aniline Compounds
5
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2020
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