The diagnosis and treatment of bacterial infections in the medical and public health field in
the 21st century remain significantly challenging. Artificial Intelligence (AI) has emerged as a …

Tuberculosis (TB) is a global lethal disease caused by Mycobacterium tuberculosis (Mtb).
The flavoenzyme decaprenylphosphoryl-β-d-ribose 2′-oxidase (DprE1) plays a crucial part …

The lethal dose or concentration which kills 50% of the animals (LD50 or LC50) is an
important parameter for scientists to understand the toxicity of chemicals in different …

Because of the growing bacterial resistance to antibiotics, the discovery of new antibiotics is
critical. The search for new antimicrobial drugs that are effective in treating new and existing …

Broad-spectrum anti-infective chemotherapy agents with activity against Trypanosomes,
Leishmania, and Mycobacterium tuberculosis species were identified from a high …

Acetylcholinesterase (AChE) is an important enzyme and target for human therapeutics,
environmental safety, and global food supply. Inhibitors of this enzyme are also used for pest …

Computational approaches are widely applied in drug discovery to explore properties
related to bioactivity, physiochemistry, and toxicology. Over at least the last 20 years, the …

Butyrylcholinesterase (BChE) is a target of interest in late-stage Alzheimer's Disease (AD)
where selective BChE inhibitors (BIs) may offer symptomatic treatment without the harsh …

Hepatitis B virus (HBV) is a hepatotropic DNA virus that replicates by reverse transcription. It
chronically infects> 296 million people worldwide, including∼ 850,000 in the USA, and kills …

Yellow fever virus (YFV) transmitted by infected mosquitoes causes an acute viral disease
for which there are no approved small-molecule therapeutics. Our recently developed …