[HTML][HTML] First fully-automated AI/ML virtual screening cascade implemented at a drug discovery centre in Africa

G Turon, J Hlozek, JG Woodland, A Kumar… - Nature …, 2023 - nature.com
Streamlined data-driven drug discovery remains challenging, especially in resource-limited
settings. We present ZairaChem, an artificial intelligence (AI)-and machine learning (ML) …

Innovative strategies for the surveillance, prevention, and management of pediatric infections applied to low-income settings

D Torres-Fernandez, J Dalsuco, J Bramugy… - Expert Review of Anti …, 2024 - Taylor & Francis
Introduction Infectious diseases still cause a significant burden of morbidity and mortality
among children in low-and middle-income countries (LMICs). There are ample opportunities …

[HTML][HTML] Artificial intelligence and cancer care in Africa

A Akingbola, A Adegbesan, O Ojo, JU Otumara… - Journal of Medicine …, 2024 - Elsevier
AI's potential to revolutionize oncology through enhanced diagnostics, treatment planning,
and patient monitoring is well-documented globally. However, in Africa, its adoption has …

5-chloro-3-(2-(2, 4-dinitrophenyl) hydrazono) indolin-2-one: synthesis, characterization, biochemical and computational screening against SARS-CoV-2

F Majoumo-Mbe, NA Sangbong, A Tadjong Tcho… - Chemical Papers, 2024 - Springer
Chemical prototypes with broad-spectrum antiviral activity are important toward developing
new therapies that can act on both existing and emerging viruses. Binding of the SARS-CoV …

Small Molecule Drugs Targeting Viral Polymerases

D Palazzotti, M Sguilla, G Manfroni, V Cecchetti… - Pharmaceuticals, 2024 - mdpi.com
Small molecules that specifically target viral polymerases—crucial enzymes governing viral
genome transcription and replication—play a pivotal role in combating viral infections …

The Chemical Space Spanned by Manually Curated Datasets of Natural and Synthetic Compounds with Activities against SARS‐CoV‐2

JY Betow, G Turon, CS Metuge, S Akame… - Molecular …, 2024 - Wiley Online Library
Diseases caused by viruses are challenging to contain, as their outbreak and spread could
be very sudden, compounded by rapid mutations, making the development of drugs and …

Rational Design of Antiviral Therapeutics

S Dokhale, S Garse, S Devarajan… - … Methods for Rational …, 2025 - Wiley Online Library
The genetic drift of viruses modulates the random mutagenesis creating an impact on the
pathogenesis of the viruses. Factors such as the ability to adapt in any host cell, mimic the …

Applying AutoML techniques in drug discovery: systematic modelling of antimicrobial drug activity on a wide spectrum of pathogens

M Torre García - 2023 - diposit.ub.edu
[en] Predictive modelling of antimicrobial activity of molecules is a crucial step towards the
discovery of anti-infective medicines. Unfortunately, there is a shortage of models covering …

Another decade of antimalarial drug discovery: New targets, tools and molecules

JG Woodland, A Horatscheck… - Progress in …, 2024 - pubmed.ncbi.nlm.nih.gov
Malaria remains a devastating but preventable infectious disease that disproportionately
affects the African continent. Emerging resistance to current frontline therapies means that …

Artificial Intelligence and Machine Learning in Drug Discovery

P Shah, D Thakkar, N Panchal, R Jha - … Pharmacy Science and …, 2024 - igi-global.com
The fusion of artificial intelligence (AI) and machine learning (ML) has reshaped drug
discovery, expediting the development of innovative treatments. Initially, AI and ML models …