Carolina H. Andrade

240 Street
Goias, GO 74605170, Brazil

Last Updated: 09/26/2026

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Found 116 publications

Targeting HsDHODH: Shape and machine-learning guided discovery and structural validation of SARS-CoV-2 antivirals.

Targeting HsDHODH: Shape and machine-learning guided discovery and structural validation of SARS-CoV-2 antivirals.

Journal: European journal of medicinal chemistry
Published: April 30, 2026

Odor-Sight: An Interpretable Graph Neural Network Web Platform for Prediction of Odorant Activity.

Odor-Sight: An Interpretable Graph Neural Network Web Platform for Prediction of Odorant Activity.

Journal: Journal of chemical information and modeling
Published: April 30, 2026

The (r)evolution of chemical space and molecular modeling: a time-resolved perspective.

The (r)evolution of chemical space and molecular modeling: a time-resolved perspective.

Journal: Journal of computer-aided molecular design
Published: April 10, 2026

TREM-1 Interacts with Rotavirus Proteins and Drives Inflammatory Responses: A Combined Experimental and Computational Approach.

TREM-1 Interacts with Rotavirus Proteins and Drives Inflammatory Responses: A Combined Experimental and Computational Approach.

Journal: Pathogens (Basel, Switzerland)
Published: September 19, 2025

Quinazolinones as Bioisosteres of Naphthoquinones: A Path to Potent HsDHODH Inhibitors with Optimized Properties.

Quinazolinones as Bioisosteres of Naphthoquinones: A Path to Potent HsDHODH Inhibitors with Optimized Properties.

Journal: ACS medicinal chemistry letters
Published: April 28, 2025

Targeting dihydroorotate dehydrogenase (DHODH) for host-directed therapy: Discovery of a novel alkyne-based scaffold inhibitor effective against SARS-CoV-2.

Targeting dihydroorotate dehydrogenase (DHODH) for host-directed therapy: Discovery of a novel alkyne-based scaffold inhibitor effective against SARS-CoV-2.

Journal: European journal of medicinal chemistry
Published: January 26, 2025

Integrative behavior analysis, oxidative stress markers determination and molecular docking to investigate proconvulsant action of betalactamic carbapenems.

Integrative behavior analysis, oxidative stress markers determination and molecular docking to investigate proconvulsant action of betalactamic carbapenems.

Journal: Neurotoxicology
Published: December 13, 2024

Cyto-Safe: A Machine Learning Tool for Early Identification of Cytotoxic Compounds in Drug Discovery.

Cyto-Safe: A Machine Learning Tool for Early Identification of Cytotoxic Compounds in Drug Discovery.

Journal: Journal of chemical information and modeling
Published: December 11, 2024

Modulation of the endocannabinoid system by (S)-ketamine in an animal model of depression.

Modulation of the endocannabinoid system by (S)-ketamine in an animal model of depression.

Journal: Pharmacological research
Published: August 30, 2024

Discovery of Non-Covalent Inhibitors for SARS-CoV-2 PLpro: Integrating Virtual Screening, Synthesis, and Experimental Validation.

Discovery of Non-Covalent Inhibitors for SARS-CoV-2 PLpro: Integrating Virtual Screening, Synthesis, and Experimental Validation.

Journal: ACS medicinal chemistry letters
Published: August 16, 2024

Pyrimidine Azepine Targets the Plasmodium bc 1 Complex and Displays Multistage Antimalarial Activity.

Pyrimidine Azepine Targets the Plasmodium bc 1 Complex and Displays Multistage Antimalarial Activity.

Journal: JACS Au
Published: July 25, 2024

Innovative Multistage ML-QSAR Models for Malaria: From Data to Discovery.

Innovative Multistage ML-QSAR Models for Malaria: From Data to Discovery.

Journal: ACS medicinal chemistry letters
Published: July 04, 2024
Showing 1-12 of 116

Last Updated: 09/26/2026