In-vitro Cytotoxicity and In-silico Insights of the Multi-target Anticancer Candidates from Haplophyllum tuberculatum Article Swipe
Mosab Yahya Al-Nour
,
Ahmed H. Arbab
,
Mohammad Khalid Parvez
,
Arwa Y Mohamed
,
Mohammed S. Al‐Dosari
·
YOU?
·
· 2021
· Open Access
·
· DOI: https://doi.org/10.33084/bjop.v4i3.1955
YOU?
·
· 2021
· Open Access
·
· DOI: https://doi.org/10.33084/bjop.v4i3.1955
This study aimed to investigate the anticancer activity of Haplophyllum tuberculatum(Forsk.) aerial parts ethanol extract and fractions and reveal the potential anticancer targets, binding modes, pharmacokinetics, and toxicity properties of its phytoconstituents. MTT assay was used to investigate the anticancer activity. TargetNet, ChemProt version 2.0, and CLC-Pred web servers were used for virtual screening, and Cresset Flare software was used for molecular docking with the 26 predicted targets. Moreover, pkCSM, swiss ADME, and eMolTox web servers were used to predict pharmacokinetics and safety. Ethanolic extracts of H. tuberculatum on HepG2 and HeLa cell lines showed promising activities with IC50 values 54.12 and 48.1 µg/mL, respectively. Further, ethyl acetate fraction showed the highest cytotoxicity on HepG2 and HeLa cell lines with IC50 values 41.7 and 52.31 µg/mL. Of 70 compounds screened virtually, polygamain, justicidin A, justicidin B, haplotubine, kusunokinin, and flindersine were predicted as safe anticancer drugs candidates. They showed the highest binding scores with targets involved in cell growth, proliferation, survival, migration, tumor suppression, induction of apoptosis, metastasis, and drug resistance. Our findings revealed the potency of H. tuberculatum as a source of anticancer candidates that further studies should support.
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Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.33084/bjop.v4i3.1955
- http://journal.umpr.ac.id/index.php/bjop/article/download/1955/1995
- OA Status
- diamond
- Cited By
- 3
- References
- 29
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W3199501284
All OpenAlex metadata
Raw OpenAlex JSON
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https://openalex.org/W3199501284Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.33084/bjop.v4i3.1955Digital Object Identifier
- Title
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In-vitro Cytotoxicity and In-silico Insights of the Multi-target Anticancer Candidates from Haplophyllum tuberculatumWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2021Year of publication
- Publication date
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2021-08-30Full publication date if available
- Authors
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Mosab Yahya Al-Nour, Ahmed H. Arbab, Mohammad Khalid Parvez, Arwa Y Mohamed, Mohammed S. Al‐DosariList of authors in order
- Landing page
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https://doi.org/10.33084/bjop.v4i3.1955Publisher landing page
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https://journal.umpr.ac.id/index.php/bjop/article/download/1955/1995Direct link to full text PDF
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YesWhether a free full text is available
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diamondOpen access status per OpenAlex
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https://journal.umpr.ac.id/index.php/bjop/article/download/1955/1995Direct OA link when available
- Concepts
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HeLa, ADME, Cytotoxicity, Chemistry, In silico, MTT assay, IC50, Docking (animal), Pharmacology, In vitro, Potency, Traditional medicine, Stereochemistry, Biochemistry, Biology, Medicine, Veterinary medicine, GeneTop concepts (fields/topics) attached by OpenAlex
- Cited by
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3Total citation count in OpenAlex
- Citations by year (recent)
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2025: 1, 2024: 1, 2023: 1Per-year citation counts (last 5 years)
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29Number of works referenced by this work
- Related works (count)
-
10Other works algorithmically related by OpenAlex
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