I completed my doctoral degree in Bioinformatics from Sri Venkateswara Institute of Medical Sciences (SVIMS) University, Tirupati, Andhra Pradesh (India). During my Ph.D., I investigated the pathogen-specific potent therapeutic targets vital for multidrug-resistant Helicobacter pylori strains (cause peptic ulcers to lethal gastric cancers) of different geographical regions through comparative genomics and subtractive proteomic approaches. This study paved a way to build receptor-ligand structural models and designed inhibitors for potent therapeutic targets of the pathogen through high-throughput virtual screening and multi-strategic computational methods which offer novel lead moieties to extend further bench to bedside translational experimental research. Subsequent identification of protein vaccine candidates led to design promiscuous immunogenic epitope-driven subunit vaccine cocktails through pan-proteomic reverse vaccinology. I have worked in collaboration to explore novel bioactive chemical space for communicable (M. tuberculosis) and non-communicable diseases (cancers). Also, I worked on transcriptome (RNAseq) of Amrasca biguttula, a pesticide-resistant notorious bug commonly known as the cotton jassid and studied dynamic structural and evolutionary characteristics for the first time to unravel vital inferences in RNAi gene silencing mechanism.
I am currently working as a Postdoctoral research scholar (Computational Chemical Biology) in the laboratory of Prof. Dr. Gabriela Chiosis at Memorial Sloan Kettering Cancer Center. My research aims to unveil hidden internal (atomic-level) cryptic motions and global conformational dynamic plasticity of proteins in response to congeneric novel probes in the biological milieu through dynamics simulations along with determining kinetic profiles, thermodynamic energy landscapes and the degree of drug-dissociation rate (Koff). I study epichaperome targeting drug candidates and compound-specific conformational perturbations and functional dynamics of epichaperome components and interaction partners. Epichaperomes have emerged as a translationally significant gateway to target and control dysfunctional protein-protein interaction networks (i.e., interactomes), and epichaperome agents have translated to clinic in cancer and neurodegenerative diseases as both drugs and companion diagnostics.