SMILES notation based optimal descriptors as a universal tool for the QSAR analysis with
further application in drug discovery and design is presented. The basis of this QSAR …

Molecular docking is a computational chemistry method which has become essential for the
rational drug design process. In this context, it has had great impact as a successful tool for …

Jasmonates are phytohormones that regulate defense and developmental processes in land
plants. Despite the chemical diversity of jasmonate ligands in different plant lineages, they …

Mutagenic potential of biphenyl-4-amines and multi-walled carbon nanotubes (MWCNTs)
have been modeled by optimal descriptors. The optimal descriptors are calculated with the …

The addition of chalcone and amine components into indirubin-3′-oxime resulted in 15
new derivatives with high yields. Structures of new derivatives were also elucidated through …

Traditional antioxidant therapies have been less effective in preventing various diseases
caused by oxidative stress. Nanoparticle antioxidants have emerged as a new expansion of …

Jasmonates are fatty acid derivatives that control several plant processes including growth,
development and defense. Despite the chemical diversity of jasmonates, only jasmonoyl-L …

Background: Glycogen synthase kinase-3 (GSK3) is associated with various key biological
processes and has been considered as an important therapeutic target for the treatment of …

Abstract Phosphoinositide 3‐kinase gamma (PI3Kγ) draws an increasing attention due to its
link with deadly cancer, chronic inflammation and allergy. But the development of PI3Kγ …

Several years ago, the crystallographic structures of the transient receptor potential vanilloid
1 (TRPV1) in the presence of agonists and antagonists were reported, providing structural …