University of Central Florida Research Foundation, Inc.

University of California

Memorial Sloan Kettering Cancer Center

University of Oklahoma

The Broad Institute, Inc.

Florida Atlantic University

Debopam Chakrabarti

Derek Shieh Tan

Sivaraman Dandapani

Robert H Cichewicz

Corinne N Foley

Alyssa Verano

Jennifer E Collins

Bracken Roberts

Shengxin Cai

Gustavo Moura-Letts

Jin Woo Lee

Rahul Edwankar

Amy E Wright

James H McKerrow

Yu Yuan

Ratna Chakrabarti

Milad Salem

James McKerrow

Guang Huang

Claribel Murillo Solano

Jiann-Shiun Yuan

Arash Keshavarzi Arshadi

Antimalarial compounds of the formula: in which n is 1 or 2; X is C or N; Ris a moiety comprising a secondary amine and a tertiary amine joined by a Cto Calkyl chain; and Ris CF, F, or H, or an analog, combination, derivative, prodrug, stereoisomer, or pharmaceutically acceptable salt thereof. Pharmaceutical compounds including the antimalarial compounds. Methods of treating or preventing malaria comprising administering an effective amount of the antimalarial compounds.

Antimalarial compounds

The present disclosure provides compounds of Formula (I'), Formula (II), and Formula (III). The compounds described herein may useful in treating and/or preventing protozoan infections in a subject in need thereof, treating and/or preventing trypanosomal infections (e.g.,() orinfections) and/or plasmodial infections in a subject in need thereof, treating and/or preventing diseases in a subject in need thereof (e.g., Chagas disease, malaria, and/or sleeping sickness), and may be useful in treating and/or preventing infectious diseases in a subject in need thereof. Also provided in the present disclosure are pharmaceutical compositions, kits, methods, and uses including a compound described herein.

Anti-parasitic compounds and uses thereof

An example method for training a graph convolutional neural network (GCNN) configured for virtual screening of molecules for drug discovery is described herein. The method can include receiving a first data set including a plurality of molecules, and training the GCNN to initialize one or more parameters of the GCNN using the first data set. The method can also include receiving a second data set including a plurality of molecules and respective inhibition rates for a disease, and training the GCNN to refine the one or more parameters of the GCNN using the second data set. The molecules in the first and second data sets can be expressed in a computer-readable format. An example method for virtually screening molecules on() is also described herein.

Artificial intelligence-based methods for early drug discovery and related training methods

Novel compositions and methods for the treatment and prevention of malaria are disclosed herein.

Antiplasmodial compounds

The present disclosure provides compounds of Formula (I'), Formula (II), and Formula (III). The compounds described herein may useful in treating and/or preventing protozoan infections in a subject in need thereof, treating and/or preventing trypanosomal infections (e.g.,() orinfections) and/or plasmodial infections in a subject in need thereof, treating and/or preventing diseases in a subject in need thereof (e.g., Chagas disease, malaria, and/or sleeping sickness), and may be useful in treating and/or preventing infectious diseases in a subject in need thereof. Also provided in the present disclosure are pharmaceutical compositions, kits, methods, and uses including a compound described herein. 

Administration of aurora kinase inhibitors for anti-malarial therapy

Anti-malarial compounds from marine natural products

Growing community of inventors

Winter Springs, FL, United States of America

Debopam Chakrabarti