ArticleCurrent computer-aided drug design2025
Insights to Design New Drugs against Human African Trypanosomiasis Targeting Rhodesain using Covalent Docking, Molecular Dynamics Simulations, and MM-PBSA Calculations.
Article in Current computer-aided drug design, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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3 citing papers in PubMed, 8 citations in OpenAlex.
- Article
- Design, Synthesis, and Antimalarial Evaluation of New Spiroacridine Derivatives.Antibiotics (Basel, Switzerland) · 2025Article
- Review
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4 authors at 1 institution in 1 country.
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Abstract
backgroundNeglected tropical diseases (NTDs) are parasitic and bacterial diseases that affect approximately 149 countries, mainly the poor population without basic sanitation. Among these, Human African Trypanosomiasis (HAT), known as sleeping sickness, shows alarming data, with treatment based on suramin and pentamidine in the initial phase and melarsoprol and eflornithine in the chronic phase. Thus, to discover new drugs, several studies point to rhodesain as a promising drug target due to the function of protein degradation and intracellular transport of proteins between the insect and host cells and is present in all cycle phases of the parasite.
methodsHere, based on the previous studies by Nascimento
resultsAlso, our findings using MD simulations and MM-PBSA calculations confirmed Gly
conclusionThis study can provide valuable insights that can guide researchers worldwide to discover a new promising drug against HAT.
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