background: melon (cucumis melo) allergy is one of the most common food allergies, characterized by oral allergy syndrome. to date, two allergen molecules, cuc m 1 and cuc m 2, have been fully characterized in melon pulp, but there are few reports about the molecular characteristics of cuc m 3. methods:the cuc m 3 cdna has been characterized by rapid amplification of cdna ends (race), which rev...

In silico screening methods based on the 3D structures of the ligands or of the proteins have become an essential tool to facilitate the drug discovery process. To achieve such process, the 3D structures of the small chemical compounds have to be generated. In addition, for ligand-based screening computations or hierarchical structurebased screening projects involving a rigid-body docking step,...

The use of methods at molecular scale for the discovery new potential active ligands, as well previously unknown binding sites target proteins, is now an established reality. Literature offers many successful stories compounds developed starting from insights obtained in silico and approved by Food Drug Administration (FDA). One most famous examples raltegravir, a HIV integrase inhibitor, which...

clostridium botulinum type a (bont/a) produces a neurotoxin recently found to be useful as an injectable drug for the treatment of abnormal muscle contractions. the catalytic domain of this toxin which is responsible for the main toxin activity is a zinc metalloprotease that inhibits the release of neurotransmitter mediators in neuromuscular junctions. a cell penetrating cationic peptide, tat, ...

In silico screening methods based on the 3D structures of the ligands or of the proteins have become an essential tool to facilitate the drug discovery process. To achieve such process, the 3D structures of the small chemical compounds have to be generated. In addition, for ligand-based screening computations or hierarchical structure-based screening projects involving a rigid-body docking step...

in this paper the telemac-3d model has been hired to simulate and study the high waves’ interaction with coastal structures. therefore a special arrangement of telemac-3d has been prepared in this study to simulate wave generation, coastal processes, wave set-up and overtopping over coastal structures. experimental data has been used to verify this arrangement of the model. thereafter, the mode...

Objective(s): Tyrosinase is a key enzyme in pigment synthesis. Overproduction of melanin in parts of the skin results in hyperpigmentation diseases. This enzyme is also responsible for the enzymatic browning in fruits and vegetables. Thus, its inhibitors are of great importance in the medical, cosmetic and agricultural fields. Materials and Methods: A series of twelve kojic acid derivatives wer...