Ashutosh Shandilya

TL;DR: This study attempts to explore NF-κB signalling pathway modulating capability of Withania somnifera’s major constituent WA and to elucidate its possible mode of action using molecular docking and molecular dynamics simulations studies.

TL;DR: Results suggest that artemisinin gets activated by iron which in turn inhibits PfATP6 by closing the phosphorylation, nucleotide binding and actuator domains leading to loss of function of PfATp6 of the parasite and its death.

TL;DR: The study conducted here is an attempt to explore the potential of Withania somnifera’s major constituent WA (Withaferin A) in attenuating the Hsp90/Cdc37 chaperone/co-chaperone interactions for enhanced tumor arresting activity and to elucidate the underlying mode of action using computational approaches.

TL;DR: In insights into designing a new inspired curcumin derivatives as therapeutic agents against many life-threatening diseases, the interaction ofCurcumin with human CAMK4 is studied using molecular docking, molecular dynamics simulations, fluorescence binding, and surface plasmon resonance (SPR) methods.

TL;DR: A molecular interaction basis that could be used for screening and development of anticancer drugs with low toxicity to normal cells is established and accurate knowledge of the 3D structure of mortalin would further enhance the potential of such analyses to understand the molecular basis ofmortalin biology and mortalin based cancer therapy.