ArticleBMC research notes2018
Docking simulation between HIV peptidase inhibitors and Trypanosoma cruzi aspartyl peptidase.
Article in BMC research notes, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed, 13 citations in OpenAlex.
- A SpecificFrontiers in immunology · 2020Trial
- Host-Directed Therapies Based on Protease Inhibitors to ControlMicroorganisms · 2025Review
- Liposomal Delivery of Saquinavir to Macrophages Overcomes Cathepsin Blockade byInternational journal of molecular sciences · 2023Article
- Repositioning drug strategy against Trypanosoma cruzi: lessons learned from HIV aspartyl peptidase inhibitors.Memorias do Instituto Oswaldo Cruz · 2022Article
- Lopinavir and Nelfinavir Induce the Accumulation of Crystalloid Lipid Inclusions within the Reservosomes ofTropical medicine and infectious disease · 2021Article
- An Integrated Approach to Identify New Anti-Filarial Leads to Treat River Blindness, a Neglected Tropical Disease.Pathogens (Basel, Switzerland) · 2021Article
- Repurposing Saquinavir for Host-Directed Therapy to Control Mycobacterium Tuberculosis Infection.Frontiers in immunology · 2021Article
- Computational Drug Repositioning for Chagas Disease Using Protein-Ligand Interaction Profiling.International journal of molecular sciences · 2020Article
- Miltefosine-Lopinavir Combination Therapy AgainstFrontiers in cellular and infection microbiology · 2019Article
Corrections and comments
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Authors and funding
11 authors at 2 institutions in 1 country.
Funding
Abstract
objectiveThe low investment in research, diagnosis and treatment are factors that contribute to the continuity of Chagas' disease as a neglected tropical diseases (NTDs). In this context, the repositioning of drugs represents a useful strategy, in the search for new chemotherapeutic approaches for NTDs. HIV aspartic peptidase inhibitors (HIV IPs) are good candidates for drug repurposing. Here, we modeled the three dimensional structure of an aspartyl peptidase of Trypanosoma cruzi, the causative agent of Chagas' disease, aligned it to the HIV aspartyl peptidase and performed docking binding assays with the HIV PIs.
resultsThe 3D structure confirmed the presence of acid aspartic residues, which are critical to enzyme activity. The docking experiment revealed that HIV IPs bind to the active site of the enzyme, being ritonavir and lopinavir the ones with greater affinity. Benznidazole presented the worst binding affinity, this drug is currently used in Chagas' disease treatment and was included as negative control. These results together with previous data on the trypanocidal effect of the HIV PIs support the hypothesis that a T. cruzi aspartyl peptidase can be the intracellular target of these inhibitors. However, the direct demonstration of the inhibition of T. cruzi aspartyl peptidase activity by HIV PIs is still a goal to be persuaded.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.