ArticleOrganic and medicinal chemistry letters2014
The potential of anti-malarial compounds derived from African medicinal plants, part III: an in silico evaluation of drug metabolism and pharmacokinetics profiling.
Article in Organic and medicinal chemistry letters, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed.
- African Natural Products Database (ANPDB): A resource for exploring the therapeutic potential of natural compounds from Africa.Nucleic acids research · 2026Article
- Scaffold-Hunting From Pyriproxyfen: A Biochemoinformatic Route to Novel Insecticidal Leads.BioMed research international · 2026Article
- Metabolite profiling, antimalarial potentials ofFrontiers in molecular biosciences · 2025Article
- A Comprehensive Review of Ethnomedicinal Uses, Phytochemistry, Pharmacology, and Toxicity ofScientifica · 2024Review
- Navigating the Chemical Space and Chemical Multiverse of a Unified Latin American Natural Product Database: LANaPDB.Pharmaceuticals (Basel, Switzerland) · 2023Article
- Striving towards true equity in global health: A checklist for bilateral research partnerships.PLOS global public health · 2023Review
- Progress and Impact of Latin American Natural Product Databases.Biomolecules · 2022Review
- Anti-COVID-19 activity of some benzofused 1,2,3-triazolesulfonamide hybrids usingChemometrics and intelligent laboratory systems : an international journal sponsored by the Chemometrics Society · 2021Article
- COCONUT online: Collection of Open Natural Products database.Journal of cheminformatics · 2021Article
- Molecular modelling andInformatics in medicine unlocked · 2021Article
- Synthesis, molecular docking, antiplasmodial and antioxidant activities of new sulfonamido-pepetide derivatives.Heliyon · 2020Article
- The potential of anti-malarial compounds derived from African medicinal plants: a review of pharmacological evaluations from 2013 to 2019.Malaria journal · 2020Review
- Cheminformatics Analysis and Modeling with MacrolactoneDB.Scientific reports · 2020Article
- Review on natural products databases: where to find data in 2020.Journal of cheminformatics · 2020Review
- STarFish: A Stacked Ensemble Target Fishing Approach and its Application to Natural Products.Journal of chemical information and modeling · 2019Article
- Hierarchical Virtual Screening of Potential Insectides Inhibitors of Acetylcholinesterase and Juvenile Hormone from Temephos.Pharmaceuticals (Basel, Switzerland) · 2019Article
- NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules.Biomolecules · 2019Article
- Identification of Novel Protein Kinase Receptor Type 2 Inhibitors Using Pharmacophore and Structure-Based Virtual Screening.Molecules (Basel, Switzerland) · 2018Article
- Pharmacophore modeling and in silico toxicity assessment of potential anticancer agents from African medicinal plants.Drug design, development and therapy · 2016Article
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7 authors.
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Abstract
backgroundMalaria is an endemic disease affecting many countries in Tropical regions. In the search for compound hits for the design and/or development of new drugs against the disease, many research teams have resorted to African medicinal plants in order to identify lead compounds. Three-dimensional molecular models were generated for anti-malarial compounds of African origin (from 'weakly' active to 'highly' active), which were identified from literature sources. Selected computed molecular descriptors related to absorption, distribution, metabolism, excretion and toxicity (ADMET) of the phytochemicals have been analysed and compared with those of known drugs in order to access the 'drug-likeness' of these compounds.
resultsIn the present study, more than 500 anti-malarial compounds identified from 131 distinct medicinal plant species belonging to 44 plant families from the African flora have been considered. On the basis of Lipinski's 'Rule of Five', about 70% of the compounds were predicted to be orally bioavailable, while on the basis of Jorgensen's 'Rule of Three', a corresponding >80% were compliant. An overall drug-likeness parameter indicated that approximately 55% of the compounds could be potential leads for the development of drugs.
conclusionsFrom the above analyses, it could be estimated that >50% of the compounds exhibiting anti-plasmodial/anti-malarial activities, derived from the African flora, could be starting points for drug discovery against malaria. The 3D models of the compounds have been included as an accompanying file and could be employed in virtual screening.
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