A5042475972- Computational Drug Discovery Methods
- Cytokine Signaling Pathways and Interactions
- Cancer therapeutics and mechanisms
- Phytochemical compounds biological activities
- Drug-Induced Hepatotoxicity and Protection
- Histone Deacetylase Inhibitors Research
- Click Chemistry and Applications
- Hepatitis C virus research
- Quinazolinone synthesis and applications
- Polyamine Metabolism and Applications
- Medicinal Plant Research
- Cancer Mechanisms and Therapy
- HER2/EGFR in Cancer Research
- Protein Kinase Regulation and GTPase Signaling
- Protein Structure and Dynamics
- Drug Transport and Resistance Mechanisms
- HIV/AIDS drug development and treatment
- DNA and Nucleic Acid Chemistry
- Natural Antidiabetic Agents Studies
- Ubiquitin and proteasome pathways
- Bioactive Natural Diterpenoids Research
- Chronic Myeloid Leukemia Treatments
Jawaharlal Nehru Technological University Anantapur
2012-2015
National Institute of Pharmaceutical Education and Research
2015
Aberrant activation of oncogenic signaling pathways plays a central role in tumor development and progression. The aim this present study was to investigate the chemopreventive effects neem limonoid gedunin hamster model oral cancer based on its ability modulate aldose reductase (AR), phosphatidyl inositol-3-kinase (PI3K)/Akt, nuclear factor kappa B (NF-κB) block angiogenesis. Administration suppressed HBP carcinomas by inhibiting PI3K/Akt NF-κB through inactivation Akt inhibitory kinase...
The insulin/IGF-1R/PI3K/Akt signalling cascade is increasingly being linked to breast cancer development, with aldose reductase (AR) playing a key role in mediating the crosstalk between this pathway and angiogenesis. current study was designed investigate whether nimbolide, neem limonoid, targets oncogenic signaling network prevent angiogenesis cancer. Breast cells (MCF-7, MDA-MB-231), EAhy926 endothelial cells, MDA-MB-231 xenografted nude mice, tumour tissues from patients were used for...
Benzodipyrazoles have been previously evaluated for their in vitro CDK2 inhibitory activity. In the current investigation, we identified a six-feature common pharmacophore model (AADDRR.33) which is predicted to be responsible inhibition. An efficient 3D QSAR (r2 = 0.98 and q2 0.82) was also constructed by employing PLS regression analysis. From molecular docking studies, examined binding patterns of compound 7aa with target protein calculated energy using MM-GBSA calculations. Three...
In this study we have performed pharmacophore modeling and built a 3D QSAR model for pyrido-indole derivatives as Janus Kinase 2 inhibitors. An efficient has been identified from data set of 51 molecules the hypothesis consisted one hydrogen bond acceptor, two donors three aromatic rings, i.e. ADDRRR. A powerful 3D-QSAR also constructed by employing Partial Least Square regression analysis with coefficient 0.97 (R2) Q2 0.95, Pearson-R 0.98.
Hepatitis C Virus (HCV) encodes its own RNA dependent polymerase (NS5b) in order to replicate genome. An efficient pharmacophore was identified, by executing structural analysis of a set 49 indole-based inhibitors the HCV NS5B polymerase. Identified pharmacophoric features, two hydrophobic regions, and 4 aromatic rings i.e. HHRRRR.649. Ligand based 3D-QSAR performed, partial least square regression employed which gave coefficient R2 0.98 Q2 0.88, Pearson-R 0.96.