Miguel Á. Chávez‐Fumagalli

Targeting Dengue Virus NS3 Helicase: Biochemical and Computational Evaluation of Catechins from Camellia sinensis as Potential Therapeutic Leads

This study evaluates catechins as inhibitors of Dengue virus NS3 helicase using biochemical assays and computational simulations, identifying EGCG and ECG as potent inhibitors with low Ki values.

Rational in silico discovery and serological validation of Trypanosoma cruzi-specific B-cell epitopes for high-precision Chagas disease diagnosis

This paper identifies T. cruzi-specific B-cell epitopes using computational methods and experimental validation, achieving high diagnostic accuracy for Chagas disease.

From Proteome Mining to Structural Validation: Phosphopyruvate Hydratase as a Structurally Tractable Drug Target in Kinetoplastid Parasites

The paper identifies phosphopyruvate hydratase (PPH) as a drug target in kinetoplastid parasites through proteome mining, structural modeling, and experimental validation, and identifies hinokinin as a promising antiparasitic compound.

Integrative Computational Analysis of VCX2 in Hepatocellular Carcinoma: From Potential Biomarker Discovery to Therapeutic Targeting with Peruvian Natural Products

This paper identifies VCX2 as a potential biomarker and therapeutic target in HCC, and identifies Luteolin-5-O-glucoside as a lead compound from Peruvian natural products through computational analysis.

Exploring the Potential of Malvidin and Echiodinin as Probable Antileishmanial Agents Through In Silico Analysis And In Vitro Efficacy

This study evaluates Malvidin and Echioidinin as antileishmanial agents through in vitro and in silico analyses, finding Malvidin more potent and less toxic than Echioidinin and Amphotericin B.

Treatment options for Chagas Disease: a systematic review and meta-analysis applied to the preclinical studies using animal models

This study reviews and analyzes preclinical treatments for Chagas disease using animal models, finding promising candidates but limited clinical success.

Targeting Leishmania infantum Mannosyl-oligosaccharide glucosidase with natural products: pH-dependent inhibition explored through computer-aided drug design.

The paper evaluates natural products for anti-leishmanial activity against Leishmania infantum MOGS using CADD, identifying Ocotillone and Subsessiline as promising candidates with pH-dependent inhibition and favorable ADMET profiles.

Targeting with structural analogs of natural products the purine salvage pathway in Leishmania (Leishmania) infantum by computer-aided drug design approaches

This study identifies structural analogs of natural products that target the purine salvage pathway in Leishmania infantum using computer-aided drug design, showing good binding affinity and potential for oral administration.

PeruNPDB: The Peruvian Natural Products Database for in silico drug screening

PeruNPDB is a database of 280 Peruvian natural products designed for in silico drug screening, highlighting the importance of biodiversity in drug discovery.

In silico-based screening for natural products structural analogs as new drugs candidate against leishmaniasis

This study identifies Malvidin as a potential drug candidate for leishmaniasis by screening natural product analogs using in silico methods targeting the parasite's arginase enzyme.

Dysfunctional vascular smooth muscle cells mediate early and late-stage neuroinflammation and Tau hyperphosphorylation

The paper shows that dysfunctional vascular smooth muscle cells contribute to neuroinflammation and Tau hyperphosphorylation in Alzheimer's disease through phenotypic transitions and loss of contractile markers.