AI-Driven Drug Discovery: Target-Specific Molecule Generation for Cancer Pathways

The Target Specific module within the SyMoG/AI application represents a groundbreaking approach to synthetic molecule generation tailored to specific biological targets, focusing on drug discovery for cancer-related pathways. Leveraging machine learning models trained on active and inactive molecular representations (SMILES), the module facilitates identifying and creating molecules with desired properties.

Metal Docking in PrinS³: Expanding Ligand Binding Studies to Metal-Dependent Systems

Metallo-β-lactamases (MBLs) are a critical group of enzymes that enable bacteria to resist β-lactam antibiotics, including carbapenems, which are often considered the last line of defense for treating severe bacterial infections. Carbapenems, a powerful subclass of β-lactam antibiotics, are commonly used to treat serious infections caused by multidrug-resistant (MDR) bacteria due to their broad-spectrum activity against both Gram-positive and Gram-negative pathogens.

Exploring Natural Products that inhibit the Target Biliverdin Reductase in Hyperbilirubinemia using PRinS3® Platform

Hyperbilirubinemia is a form of illness characterized by an increase in blood bilirubin levels as a result of a failure to efficiently metabolize or eliminate bilirubin, a byproduct of erythrocyte breakdown. It can be traced back to irregularities in normal bilirubin metabolism. An increase in the bilirubin levels might possibly be a sign of some serious underlying issue.

Insilico Drug Repurposing Approach To Identify Drugs For The Treatment Of Neglected Diseases using PRinS3 ® Platform

Chagas Disease can be described as a condition in which the parasite named Trypanosoma cruzi is involved and it is the main causative agent of this disease. These parasites can enter the body through the mucous membranes and also through the breaks that are present in the skin they can cause the acute symptoms which are very mild in nature such as fever, skin lesions, conjunctivitis, inflammation of the tissues etc.