Approaches to Backbone Flexibility in Protein-Protein Docking.

Proteins are the fundamental organic macromolecules in living systems that play a key role in a variety of biological functions including immunological detection, intracellular trafficking, and signal transduction. The docking of proteins has greatly advanced during recent decades and has become a crucial complement to experimental methods. Protein-protein docking is a helpful method for simulating protein complexes whose structures have not yet been solved experimentally.

Decoding the Role of Epigenetics in Breast Cancer Using Formal Modeling and Machine-Learning Methods.

Breast carcinogenesis is known to be instigated by genetic and epigenetic modifications impacting multiple cellular signaling cascades, thus making its prevention and treatments a challenging endeavor. However, epigenetic modification, particularly DNA methylation-mediated silencing of key TSGs, is a hallmark of cancer progression. One such tumor suppressor gene (TSG) (Runt-related transcription factor 3) has been a new insight in breast cancer known to be suppressed due to local promoter hypermethylation mediated by DNA methyltransferase 1 (DNMT1).

Discovering novel inhibitors of P2Y receptor using structure-based virtual screening, molecular dynamics simulation and MMPBSA approaches.

P2Y, a G-protein coupled receptor is involved in platelets plug formation and it amplifies and maintains the process of platelet aggregation. P2Y is considered as a potent target to inhibit platelet aggregation in thrombotic and cardiac emergencies. This research focuses on in silico inhibition of P2Y by structure-based drug design techniques.

Recent Updates on the Role of Nanoparticles in the Treatment of Viral Diseases.

Viral infections such as AIDS, hepatitis, herpes keratitis, and herpes labialis became resistant to drugs and it is difficult to design vaccine. In current era drug-resistant viruses are now treated by nanoparticles (NPs) and this field is known as nanobiotechnology that relates nanoscience with the biological system. NPs due to their antiviral activity are used in the treatment of viral diseases.