academic article

• Disease correction in Mucopolysaccharidosis type IIIB mice by intraparenchymal or cisternal delivery of a capsid modified AAV8 codon-optimized NAGLU vector.  Human Molecular Genetics.  2022
• Lead generation of cysteine based mesenchymal epithelial transition (c-Met) kinase inhibitors: Using structure-based scaffold hopping, 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamics simulation.  Computers in Biology and Medicine.  146:105526. 2022
• Insights into flibanserin oxidative stress degradation pathway: in silico – in vitro toxicity assessment of its degradates.  New Journal of Chemistry.  45:2620-2630. 2021
• Molecular design, synthesis and in vitro biological evaluation of thienopyrimidine–hydroxamic acids as chimeric kinase HDAC inhibitors: a challenging approach to combat cancer.  Journal of Enzyme Inhibition and Medicinal Chemistry.  36:1290-1311. 2021
• Structural Basis of Selective Human Indoleamine‐2,3‐dioxygenase 1 (hIDO1) Inhibition.  ChemMedChem.  16:3149-3164. 2021
• 3D-QSAR pharmacophore modelling, virtual screening and docking studies for lead discovery of a novel scaffold for VEGFR 2 inhibitors: Design, synthesis and biological evaluation.  Bioorganic Chemistry.  89:102988. 2019
• Structure-based design generated novel hydroxamic acid based preferential HDAC6 lead inhibitor with on-target cytotoxic activity against primary choroid plexus carcinoma.  Journal of Enzyme Inhibition and Medicinal Chemistry.  34:1062-1077. 2019
• Structure-guided development of covalent TAK1 inhibitors.  Bioorganic & Medicinal Chemistry.  25:838-846. 2017
• Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.  Bioorganic & Medicinal Chemistry.  25:1320-1328. 2017
• Toward discovery of mutant EGFR inhibitors; Design, synthesis and in vitro biological evaluation of potent 4-arylamino-6-ureido and thioureido-quinazoline derivatives.  Bioorganic & Medicinal Chemistry.  24:3501-3512. 2016
• Design, synthesis and in vitro anti-proliferative activity of 4,6-quinazolinediamines as potent EGFR-TK inhibitors.  European Journal of Medicinal Chemistry.  61:132-145. 2013