N. S. Pagadala

发表

Software for molecular docking: a review

J. Tuszynski, K. Syed, N. S. Pagadala, 2017, Biophysical Reviews.

In silico studies and fluorescence binding assays of potential anti-prion compounds reveal an important binding site for prion inhibition from PrP(C) to PrP(Sc).

D. Wishart, J. Tuszynski, R. Perez-Pineiro, 2015, European journal of medicinal chemistry.

Molecular evolutionary dynamics of cytochrome P450 monooxygenases across kingdoms: Special focus on mycobacterial P450s

J. Tuszynski, D. Nelson, Jae-Hyuk Yu, 2016, Scientific Reports.

Comparative molecular docking studies of EGCG with SHaPrPC

D. Wishart, N. S. Pagadala, Rolando Pérez Piñeiro, 2018, MOJ Drug Design Development & Therapy.

Structure based designing of new inhibitors against acetylcholine esterase associated with Alzheimer's disease.

K. Rangappa, N. S. Pagadala, S. Boppana, 2009 .

The compound (3-{5-[(2,5-dimethoxyphenyl)amino]-1,3,4-thiadiazolidin-2-yl}-5,8-methoxy-2H-chromen-2-one) inhibits the prion protein conversion from PrPC to PrPSc with lower IC50 in ScN2a cells.

D. Wishart, T. Bjorndahl, K. Syed, 2017, Bioorganic & medicinal chemistry.

In silico strategies on prion pathogenic conversion and inhibition from PrPC –PrPSc

K. Syed, N. S. Pagadala, Rakesh K. Bhat, 2017, Expert opinion on drug discovery.

Insilico studies of putative inward rectifier potassium channel AKT from rice Oryza Sativa L

N. S. Pagadala, 2017 .

Insights into the misfolding of alpha ndash synuclein in the presence of metal ions a simulation study

N. S. Pagadala, 2018 .

Genome-wide identification, annotation and characterization of novel thermostable cytochrome P450 monooxygenases from the thermophilic biomass-degrading fungi Thielavia terrestris and Myceliophthora thermophila

K. Syed, N. S. Pagadala, N. Kraševec, 2014, Genes & Genomics.

Systematic Identification and Evolutionary Analysis of Catalytically Versatile Cytochrome P450 Monooxygenase Families Enriched in Model Basidiomycete Fungi

J. Tuszynski, K. Syed, N. S. Pagadala, 2014, PloS one.

In silico identification of RBD subdomain of spike protein from Pro322-Thr581 for applications in vaccine development against SARS-CoV2

J. Tuszynski, N. S. Pagadala, P. Maturu, 2021, Journal of Molecular Structure.

Molecular docking of thiamine reveals similarity in binding properties between the prion protein and other thiamine-binding proteins

D. Wishart, T. Bjorndahl, A. Kovalenko, 2013, Journal of Molecular Modeling.

Computational prediction of hERG blockers using homology modelling, molecular docking and QuaSAR studies

N. S. Pagadala, Nataraj Sekhar Pagadala, 2021 .

Discovery of anti-influenza nucleoside triphosphates targeting the catalytic site of A/PR/8/34/H1N1 polymerase

N. S. Pagadala, Rakesh K Bhat, A. Landi, 2020, Medicinal Chemistry Research.

AZT acts as an anti-influenza nucleotide triphosphate targeting the catalytic site of A/PR/8/34/H1N1 RNA dependent RNA polymerase

N. S. Pagadala, 2019, Journal of Computer-Aided Molecular Design.