Highlights•Which molecular dynamics (MD) techniques are available for drug design?•How
is MD used to investigate ligand–macromolecule complexes?•How are MD studies applied …

Introduction The treatment landscape of non-small cell lung cancer (NSCLC) has seen
significant advancements in recent years, marked by a shift toward target agents and …

Type-II transmembrane serine proteases are effective pharmacological targets for host
defence against viral entry and in certain cancer cell progressions. These serine proteases …

This study aimed to explore any mutation in the CYP51 gene conferring azole resistance in
Aspergillus flavus. Two voriconazole-resistant and 45 voriconazole-susceptible isolates …

Drug resistance poses a threatening challenge for mankind, as the development of
resistance to already well-established drugs causes serious therapeutic problems …

Tubulin isotypes are found to play an important role in regulating microtubule dynamics. The
isotype composition is also thought to contribute in the development of drug resistance as …

Tubulin, the microtubules and their dynamic behavior are amongst the most successful
antitumor, antifungal, antiparasitic, and herbicidal drug targets. Sulfonamides are exemplary …

Molecular dynamics (MD) is a computational technique which is used to study biomolecules
in virtual environment. Each of the constituent atoms represents a particle and hence the …

The cardinal role of microtubules in cell mitosis makes them interesting drug targets for
many pharmacological treatments, including those against cancer. Moreover, different …

Background Curcumin, a major component of curry powder, which is a natural polyphenol
product extracted from rhizoma curcumae longae, interacts with a specific binding site on …