ACADEMIC PROJECTS AS ON OCTOBER 2013 :

PROGRAM COMPLETED
M. Phil. 1
M. Tech. 9
M. Sc. 101
M. Pharm. 10
B. Tech. 3

 

DRUG DESIGN - CANCER

Designing drug for cancer by targeting multiple signaling networks

Computational designing of anticancer drug using HSP 90 as target

Impact of mobility of active site on structure based drug design for MMP's

Computer aided drug design; high throughput screening of leads in tumor targets

Identification of small molecular inhibitors against crucial molecular targets

CADD and quantitative SAR studies on anticancer agents

Pre-transcriptional gene silencing for controlling cancer

RNA protein complexes as anticancer target - a computational analysis

Interaction of metal coordination compounds and metal ions with brain cancer proteins

Molecular chaperones as anticancer target - a computational analysis

Anticancer phytochemicals characterization and docking studies

Design of novel MMP inhibitors for cancer by peptide based drug designing

Studying the role of protein kinase in inflammation and liver cancer

Designing of novel inhibitors for vegfr2 targeting the kinase domain by FBDD

Novel therapies and drug targets for the treatment of inherited cancer disorder

Finding an antineoplastic ligand for cancer- a computational analysis

A computational analysis of functionality important hub proteins

P13ks inhibitors as anticancer drugs-a computational analysis

Designing of new agonist for caspase cascade to induce apoptosis in cancer cells

De nevo designing of HDAC inhibitors in cancer therapy

Computational approach of DNA mismatch repair in cancer

FBDD , synthesis and evaluation of anti-cancer drugs targeted on breast cancer proteins

Designing of c-met inhibitor for cancer

Parp inhibitors for controlling cancer

BAF KINASE inhibitor designing

Identifying inhibitor for nedd8-activating enzyme for cancer

Designing of novel MMP inhibitors for cancer by FBDD

Active site identification by ligand competitive saturation(SLICS) in prostate cancer

Designing of novel inhibitors for vegfr2 targeting the kinase domain

FBDD of antigen receptor antagonist against prostate cancer

Ligand based designing of androgen receptor antagonist against prostate cancer

RAS membrane association inhibitor for cancer treatment

Designing of BRAF kinase inhibitors as anticancer drug by FBDD to identify lead molecules

RAS GTPASE as the drug target for designing anticancer drug

Computational designing and development of a gold QD based radiational therapeutic device for cancer

MTOR pathway as a target of anti cancer drug designing

Designing drug for cancer by targeting multiple signaling networks

 

DRUG DESIGN - GENERAL

PART 1- NEURODEGENERATIVE

Comprehensive computational analysis approach for Alzheimer's disease

Modeling and simulation of drugs for epilepsy

Insilico analysis of low complexity regions as a cause of neurodegenerative diseases Insilco pharmacogenetic analysis of ad

Active site lead molecular design for Alzheimer's disease

PART 2 - HIV

Prediction of HIV evolution using computational techniques

Monitoring HIV-tat protein function of MD simulation

A computational approach on structure based drug designing of HIV-1 protease inhibitors

 

PART 3 - SWINE FLU

Computational design of a potential drug for swine flu

Designing M2 proton channel inhibitors against H1N1 swine influenza virus- a computational analysis

PART 4 - CHIKUNGUNYA

Targeted drug delivery and protein-ligand interactions to identify potential drug for chikungunya

Targeted drug delivery and protein-ligand interactions to identify potential drug for chikungunya

Insilico design of lead molecule for chikungunya by FBDD

 

PART 5 - GENERAL

Determination of drug likeness for the proteomic targets based on sar studies

Designing & development of a biosensing system for monitoring personalized drug therapy(PDT)

Multitarget drug action of aloevera - a computational analysis

Directed evolution and screening of proteins for improved stability and function

Metabolomic consequences of antifiolate drug treatment and resistance in pathogenic microorganisms

Computational designing of a potential drug for rabies

Design and synthesis of potential anti-parasites

Computational analysis of protein stability using modeling and simulations

Characterization and phytochemicals analysis of Solanum nigrum

Computational analysis of hutchinson-gilford progeria syndrome in humans

Computational analysis of phytochemicals from Morinda citrifolia

Pde4 inhibitors for the treatment of allergic skin diseases and psoriasis.

Drug - drug interaction with transport proteins- a computational approach

G-protein coupled receptors for chemosensory cues- a computational analysis

Structure and function of enzymes in glycolipd biosynthesis: targets for structure based drug design

FBDD of NSSB inhibitor for HCV

Insilco study of human TRH receptor, TRH and TRH like peptides

PDE5 inhibition -RHO kinase inhibitor designing for pulmonary hypertension

Designing and development of biosensing systems for monitoring personalized drug therapy

Identification and characterization of new target proteins in insulin mediated signal transduction & insulin resistance using CADD

Designing of PDE5 inhibitors for the treatment of pulmonary hypertension

Characterization of stimuli responsive amphiphilic block copolymers for targeted drug delivery

Chitosan nanoparticles as high performance drug delivery systems-a computational approach Computational identification of chitosan np as targeted DDS

 

PHARMACOGENOMICS

PART 1: PHARMACOGENOMICS - CANCER

Computational analysis of mutation in genes or causing Alzheimer's disease, analyzing the microsatellite mutagenesis

Pre transcriptional gene silencing for controlling cancer

Molecular and functional characterization of sigma receptors in cancer

Computational approaches of characterization and identification of non-coding rna genes in cancer

Pharmacogenomic analysis of individual variation in prostate cancer

Pharmacogenomic analysis of individual variation in colorectal cancer

Genomic and proteomic profiling of gallblader cancer

Analysis of single nucleotide polymorphism and individual variation for cancer-a computational pharmacogenomic approach

A pharmacogenomic analysis of C-MYC gene responsiveness in breast cancer

 

PART 2: PHARMCOGENOMICS- NEURODEGENRATIVE

Engineering a nanogene circuit to silence gene expression in Alzheimer's disease by computational modeling and simulation

Signal peptide processing

Non-coding RNA based gene transcriptional gene silencing for controlling Alzheimer's disease

Engineering a nanogene circuit to silence gene expression in Alzheimer's disease by computational modeling and simulation

Amrita database for neurodisorders

Effect of noncoding rna on post transcriptional genesilencing of AD

Pharmacogenomic analysis of individual variation in pd responsiveness

Neuroprotective action of phytochemicals: a computational analysis

PART 3 : PHARMACOGENOMICS - GENERAL

Simulation of DNA-CNT interactions

Structural; and sequence analysis of molecular motors

Conformational microsatellite of a chi-pi interaction stabilized satid csi-pro-peptide by MD simulation

Molecular pharmacology of n-methyl; d aspartate glutamate receptors

Computational analysis of gene -gene interactions in glioma

Insilico prediction of cytochrome p450 substrates and inhibitors

Computational modeling of biomolecular motors

A computational analysis on protein -DNA complexes using modeling and simulation techniques

Pharmacoinformatic approach for designing of a drug for regenartive therapy

Active site analysis by mutation and molecular docking process

Identification and characterization of genes involved in x-linked mental retardation

Identification and characterisation of individual variations in HIV SNP analysis

Pharmacogenomic analysis of individual variation in p53 responsiveness

Individual a variation in leukemia- a computational pharmacogenomic analysis

An insilico analysis of individualized risk factor for statin therapy

 

GENERAL

PART 1 - MATERIALS SCIENCE

Development of humanoid skin

Computational modeling of bioluminescent proteins

Conformational switching of biochromophores -a computational analysis

Insilco analysis of catalysis of oxidation reaction by laccase for polyaromatic & xenobiotic compounds

Conformational switching of biochromophores - a computational analysis

Computational modeling of environmentally responsive hydrogels

Quantum mechanical modeling and molecular dynamic simulation of phytochemicals to Study their feasibility as photosensitizers

Computational modeling of fluorescent proteins

Computational modeling of stimuli responsive hydrogels

Computational modeling and simulation of biomimetic adhesives

Structural dependent activity of inorganic photocatalysis

Molecular modeling and simulation of biofuel

Bond dissociation energy of organic molecules and oxygenated free radicals

Computational prediction of properties of high energy particles used as explosives

PART 2 - NANOTECHNOLOGY

Bionanopore for the analysis of DNA protein complex

DNA: self assembled nanostructures and complexation with hyper branched polymer

Computational analysis & designing of magnetic nanoparticles for the isolation of leukemia cells

Computational analysis of CNT-papain interaction to study the possibility of a biosensor for the detection of marijuana consumption

Computational analysis of CNT-biopolymer interactions

Thermal analysis of nanofluids using modeling and molecular dynamics simulations

Computational analysis and designing of magnetic nanoparticles for biomedical applications

Computational designing of smart nanocomposites for biomedical applications

PART 3 – INTERDISCIPLINARY

 

Modeling and simulations of aquaporins

Computational analysis of enzyme catalysis-investigating the role of enzymes

Prediction of protein subcellular localization using machine learning approach

Development of a biomedical device for retrieving secondary information from ECG

Vibrational analysis of purine nucleotides and nucleosides in water at ph 2-13 : UV spectra

Insilco stability analysis of human and e.coli aquaporins

Insilco stability analysis of human and e.coli aquaporins

Prediction of phopholipidosis inducing potential using machine learning techniques

Development of a biomedical device for retrieving secondary information from ECG

 

PART 4 - THEORY

Design and development of a tool for microsatellite analysis

Quantum chemistry using tridiagonalisation