ArticleScientific reports2022
In silico activity and ADMET profiling of phytochemicals from Ethiopian indigenous aloes using pharmacophore models.
Article in Scientific reports, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 28 papers.
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Who cites it
28 citing papers in PubMed, 49 citations in OpenAlex.
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- Eugenoplatin (a phyto-chemo drug conjugate) targets cancer stem cells through inhibition of the β-catenin signaling in triple-negative breast cancer cells.Journal of translational medicine · 2026Article
- In Silico Identification of Natural SIRT1 Inhibitors through Molecular Docking, Dynamics Simulation, and MM/PBSA.Cell biochemistry and biophysics · 2026Article
- In silico pharmacology and 3D-bioprinting reveal Dicranum scoparium as an inhibitor of NF-κB-induced inflammation in the 3D4/31 alveolar macrophage cell line.Journal of natural medicines · 2026Article
- Antitumor effects of diosmetin in Ehrlich ascites carcinoma mouse model: insights into ROS-mediated mechanisms.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Blocking ASIP to Protect MC1R Signaling and Mitigate Melanoma Risk: An In Silico Study.Pharmaceuticals (Basel, Switzerland) · 2026Article
- AI-assisted design and virtual profiling of targeted degraders for pancreatic cancer therapy via PROTAC technology.American journal of cancer research · 2026Article
- Phytochemical Profiling, Molecular Docking, ADMET Analysis ofACS omega · 2025Article
- Pharmacokinetic, docking, and DFT analyses reveal Moringa oleifera phytochemicals as inhibitors of HIF-1α/VEGF/GLUT1 signaling pathway in breast cancer.Scientific reports · 2025Article
- Design, Synthesis,ACS omega · 2025Article
- Antimicrobial, synergistic and antibiofilm activities of Myristica fragrans Houtt. Bioactive compounds and their derivatives.Scientific reports · 2025Article
- Synthesis of new nicotintaldehyde derivatives via Pd(0) catalyzed suzuki coupling with structural characterization and co-combined computational-experimental evaluation against oral pathogens.Scientific reports · 2025Article
- Virtual screening and identification of potent phytoconstituents from Acorus calamus L. as inhibitors of Monkeypox virus infection.Journal, genetic engineering & biotechnology · 2025Article
- Pomegranate Peel Extract as 6-Phosphogluconate Dehydrogenase (6PGD) Inhibitor for Treatment of Breast Cancer.Cell biochemistry and biophysics · 2025Article
- Target fishing: from "needle in haystack" to "precise guidance"--new technology, new strategy and new opportunity.Frontiers in pharmacology · 2025Review
Corrections and comments
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Authors and funding
5 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In silico profiling is used in identification of active compounds and guide rational use of traditional medicines. Previous studies on Ethiopian indigenous aloes focused on documentation of phytochemical compositions and traditional uses. In this study, ADMET and drug-likeness properties of phytochemicals from Ethiopian indigenous aloes were evaluated, and pharmacophore-based profiling was done using Discovery Studio to predict therapeutic targets. The targets were examined using KEGG pathway, gene ontology and network analysis. Using random-walk with restart algorithm, network propagation was performed in CODA network to find diseases associated with the targets. As a result, 82 human targets were predicted and found to be involved in several molecular functions and biological processes. The targets also were linked to various cancers and diseases of immune system, metabolism, neurological system, musculoskeletal system, digestive system, hematologic, infectious, mouth and dental, and congenital disorder of metabolism. 207 KEGG pathways were enriched with the targets, and the main pathways were metabolism of steroid hormone biosynthesis, lipid and atherosclerosis, chemical carcinogenesis, and pathways in cancer. In conclusion, in silico target fishing and network analysis revealed therapeutic activities of the phytochemicals, demonstrating that Ethiopian indigenous aloes exhibit polypharmacology effects on numerous genes and signaling pathways linked to many diseases.
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