Manisha Ganguly

Subtractive proteomics unravel the potency of D-Alanine-D-Alanine Ligase as the drug target for Burkholderia pseudomallei

The paper identifies D-Alanine-D-Alanine ligase (DdlB) as a potential drug target for Burkholderia pseudomallei using molecular docking and dynamics simulations, showing Conivaptan inhibits DdlB effectively.

PfHT1 controls glucose uptake in malaria parasite: molecular dynamics study in plasma membrane like environment reveals ligand induced conformational changes trigger closed conformation and alters binding pocket geometry

This study uses molecular dynamics simulations to analyze PfHT1 conformational changes and design specific inhibitors for malaria parasite glucose uptake.

De novo drug designing coupled with brute force screening and structure guided lead optimization gives highly specific inhibitor of METTL3: a potential cure for Acute Myeloid Leukaemia

The paper designs and optimizes Y-shaped inhibitors of METTL3 using de novo methods and brute force screening, achieving high selectivity and binding affinity for potential cancer treatment.