Background: Herpes Simplex (HSV) viruses are widely spread, highly contagious human
pathogens. The statistics indicate that 50-90% of adults worldwide are seropositive for these …

Mammals have complex biological systems and are constantly prone to infections by a wide
array of bacteria, fungi, viruses, and parasites, a significant challenge to the constant …

The study of biomolecular interactions between a drug and its biological target is of
paramount importance for the design of novel bioactive compounds. In this paper, we report …

Molecular docking is a simulation process where the binding of a small molecule is
identified in the structure of a protein target. There are several different computational …

The modern approach to the development of new chemical entities against complex
diseases, especially the neglected endemic diseases such as tuberculosis and malaria, is …

The importance of taking into account protein flexibility in drug design and virtual ligand
screening (VS) has been widely debated in the literature, and molecular dynamics (MD) has …

The discovery of purine nucleoside phosphorylase (PNP) deficiency and T lymphocytopenia
suggested that inhibition of this enzyme could serve as a therapeutic target. Inhibitors of …

In order to obtain structural information about intermolecular interactions between a protein
target and a drug we could either solve the structure by experimental techniques (protein …

Millions of deaths worldwide are caused by the aetiological agent of tuberculosis,
Mycobacterium tuberculosis. The increasing prevalence of this disease, the emergence of …

Forodesine, a purine nucleoside phosphorylase inhibitor, displays in vitro activity in chronic
lymphocytic leukemia (CLL) cells in presence of dGuo, which is the basis for an ongoing …