Inhibitory studies of HepG2 and human immune cells using Solanum nigrum.

It is of interest to document the inhibitory studies of HepG2 and human immune cells using Solanum nigrum. We have assessed the effect of ethanolic extract from Solanum nigrum for antiproliferative on HepG2 and on human PBMC. Treatment with Solanum nigrum separates the cells that are estimated by 3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyl tetrazolium bromide measure.

Molecular docking analysis of a secondary metabolite with the glycoprotein receptors of HSV 1 and HSV 2.

Herpes simplex viruses (HSV) are alpha herpes viruses, which causes life-threatening illness. Therefore, it is of interest to design and develop potential drugs to treat HSV infections. We show the optimal molecular docking properties of a secondary metabolite (3, 7, 11, 15 tetra methyl-2-2-hexadecen-'1-ol) with the glycoprotein receptors of HSV1 and HSV 2 for further consideration.

Molecular modelling and docking analysis of pleurocidin (an antimicrobial peptide) like peptides with enterotoxin H from Klebsilla pneumonia.

Enterotoxin H is a key molecular target for replication and establishment of Klebsilla pneumonia in the host. Therefore, it is of interest to study the interaction of enterotoxin H with pleurocidin like peptides using molecular modelling (template PDB ID: 1YCE), Lig-Plot (ligand construction) and docking tools for therapeutic consideration. The hydrophobic pocket and the active site residues (Val 13, Met 16, Gly 25, Ala 25, and Ile 28) were identified using Cast P, Molegro and Sitehound tools.

Molecular docking analysis of zanamavir with haem agglutinin neuraminidase of human para influenza virus type 3.

The human para influenza virus (HPIV) type 3 is an imperative respiratory virus which cause upper and lower respiratory infections. The receptor involved in the viral infection is haem agglutinin neuraminidase. It is of interest to study the interaction of haem agglutinin neuraminidase with zanamavir (4-GU-DANA), a known antiviral drug.