Docking is one of the most commonly used techniques in drug design. It is used for both
identifying correct poses of a ligand in the binding site of a protein as well as for the …

The interaction of small molecules with DNA plays an essential role in many biological
processes. As DNA is often the target for majority of anticancer and antibiotic drugs, study …

Molecular docking is a widely used method to predict the binding modes of small-molecule
ligands to the target binding site. However, it remains a challenge to identify the correct …

Molecular docking is a kind of computational modeling of the complexes, which is formed
from the interaction of two or more molecules. It predicts the three-dimensional structure of …

In view of their DNA intercalation activities as anticancer agents, novel fifteen [1, 2, 4] triazolo
[4, 3-c] quinazoline and bis ([1, 2, 4] triazolo)[4, 3-a: 4′, 3′-c] quinazoline derivatives have …

Despite DNA being an important target for several drugs, most of the docking programs are
validated only for proteins and their ligands. In this paper, we used AutoDock 4.0 to perform …

DNA is an important target for the treatment of multiple pathologies, most notably cancer. In
particular, DNA intercalators have often been used as anticancer drugs. However, despite …

In trying to develop new anticancer agents, a series of 1H-pyrazolo [3, 4-b] pyridine
derivatives was designed and synthesized. Fifteen compounds were evaluated in vitro for …

Automated docking is one of the most important tools for structure‐based drug design that
allows prediction of ligand binding poses and also provides an estimate of how well small …

The interaction between ofloxacin (Oflx) and calf thymus DNA (ct DNA) in the presence and
absence of histone H1 was investigated in Tris buffer (pH= 6.8) using UV–vis absorption and …