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We have designed a coordinated strategy using multidisciplinary approaches to understand the molecular basis of the polyspecificity exhibited by the ATP-binding cassette (ABC) drug transporter P-glycoprotein (P-gp) and the mechanism of P-gp-mediated drug transport. Our approaches include several biochemical and biophysical assays, cell-based transport assays, purification and reconstitution in lipid nanodiscs for structural studies using cryo-EM, medicinal chemistry to synthesize a large number of compounds to assess structure-activity relationships, in silico molecular modeling and MD simulations to extend our understanding of the mechanistic aspects and structure-function relationships. In addition, we are employing a novel approach of substituting multiple conserved residues with alanine in homologous transmembrane helices (TMHs) to elucidate the transport mechanism of P-gp. Furthermore, we are devoting considerable effort to the screening of repurposed drugs, dual inhibitors, tyrosine kinase inhibitors (TKIs) and small molecule modulators of both P-gp and ABCG2 that are used in the clinic for treatment of various types of cancers.
研究兴趣
论文共 426 篇作者统计合作学者相似作者
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International Journal of Molecular Sciencesno. 10 (2024): 5160
crossref(2023)
ACS Pharmacology & Translational Scienceno. 1 (2023): 161-175
MOLECULAR PHARMACEUTICSno. 6 (2023): 3249-3249
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crossref(2023)
PHARMACEUTICALSno. 11 (2023): 1595-1595
crossref(2023)
Biomoleculesno. 2 (2023): 253-253
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作者统计
#Papers: 429
#Citation: 37494
H-Index: 87
G-Index: 188
Sociability: 7
Diversity: 4
Activity: 141
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