Search Results - "Bafna, Khushboo"

Hepatitis C virus drugs that inhibit SARS-CoV-2 papain-like protease synergize with remdesivir to suppress viral replication in cell culture by Bafna, Khushboo, White, Kris, Harish, Balasubramanian, Rosales, Romel, Ramelot, Theresa A., Acton, Thomas B., Moreno, Elena, Kehrer, Thomas, Miorin, Lisa, Royer, Catherine A., García-Sastre, Adolfo, Krug, Robert M., Montelione, Gaetano T.

“…Effective control of COVID-19 requires antivirals directed against SARS-CoV-2. We assessed 10 hepatitis C virus (HCV) protease-inhibitor drugs as potential…”
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Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics by Shukla, Shantanu, Bafna, Khushboo, Gullett, Caeley, Myles, Dean A. A, Agarwal, Pratul K, Cuneo, Matthew J

“…The genome of the hyperthermophile Thermotoga maritima contains three isoforms of maltose binding protein (MBP) that are high-affinity receptors for di-, tri-,…”
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Nucleotide substrate binding characterization in human pancreatic-type ribonucleases by Bafna, Khushboo, Narayanan, Chitra, Chennubhotla, S Chakra, Doucet, Nicolas, Agarwal, Pratul K

“…Human genome contains a group of more than a dozen similar genes with diverse biological functions including antiviral, antibacterial and angiogenesis…”
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Computational Structure-Based De Novo Design of Hypothetical Inhibitors against the Anti- Inflammatory Target COX-2 by Dhanjal, Jaspreet Kaur, Sreenidhi, Anith Kumar, Bafna, Khushboo, Katiyar, Shashank Prakash, Goyal, Sukriti, Grover, Abhinav, Sundar, Durai

“…Cyclooxygenase-2 (COX-2) produces prostaglandins in inflamed tissues and hence has been considered as an important target for the development of…”
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The bitter barricading of prostaglandin biosynthesis pathway: understanding the molecular mechanism of selective cyclooxygenase-2 inhibition by amarogentin, a secoiridoid glycoside from Swertia chirayita by Shukla, Shantanu, Bafna, Khushboo, Sundar, Durai, Thorat, Sunil S

“…Swertia chirayita, a medicinal herb inhabiting the challenging terrains and high altitudes of the Himalayas, is a rich source of essential phytochemical…”
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Structural similarities between SARS-CoV2 3CLpro and other viral proteases suggest potential lead molecules for developing broad spectrum antivirals by Bafna, Khushboo, Cioffi, Christopher L., Krug, Robert M., Montelione, Gaetano T.

“…Considering the significant impact of the recent COVID-19 outbreak, development of broad-spectrum antivirals is a high priority goal to prevent future global…”
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Protocol for production and purification of SARS-CoV-2 3CLpro by Mazzei, Luca, Greene-Cramer, Rebecca, Bafna, Khushboo, Jovanovic, Aleksandar, De Falco, Anna, Acton, Thomas B., Royer, Catherine Ann, Ciurli, Stefano, Montelione, Gaetano T.

“…3CLpro protease from SARS-CoV-2 is a primary target for COVID-19 antiviral drug development. Here, we present a protocol for 3CLpro production in Escherichia…”
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Ligand-Induced Variations in Structural and Dynamical Properties Within an Enzyme Superfamily by Narayanan, Chitra, Bernard, David N, Bafna, Khushboo, Gagné, Donald, Agarwal, Pratul K, Doucet, Nicolas

“…Enzyme catalysis is a complex process involving several steps along the reaction coordinates, including substrate recognition and binding, chemical…”
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Enzyme Dynamics: Looking Beyond a Single Structure by Agarwal, Pratul K., Bernard, David N., Bafna, Khushboo, Doucet, Nicolas

“…Conventional understanding of how enzymes function strongly emphasizes the role of structure. However, increasing evidence clearly indicates that enzymes do…”
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CONFORMATIONAL FLUCTUATIONS RELATED TO CATALYSIS IN HUMAN RIBONUCLEASE SUPERFAMILY by Bafna, Khushboo, Narayanan, Chitra, Bernard, David, Doucet, Nicolas, Agarwal, Pratul

“…The high catalytic efficiency of enzymes is a result of structural and dynamical effects. The role of enzyme structure in catalysis has been understood for…”
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Applications of NMR and computational methodologies to study protein dynamics by Narayanan, Chitra, Bafna, Khushboo, Roux, Louise D., Agarwal, Pratul K., Doucet, Nicolas

“…Overwhelming evidence now illustrates the defining role of atomic-scale protein flexibility in biological events such as allostery, cell signaling, and enzyme…”
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Hepatitis C Virus Protease Inhibitors Suppress Virus Replication and Act Synergistically with the SARS-CoV2 Polymerase Inhibitor Remdesivir by Bafna, Khushboo, White, Kris, Harish, Balasubramanian, Royer, Catherine A., Garcia-Sastre, Adolfo, Krug, Robert M., Montelione, Gaetano T.

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Conservation of Dynamics Associated with Biological Function in an Enzyme Superfamily by Narayanan, Chitra, Bernard, David N., Bafna, Khushboo, Gagné, Donald, Chennubhotla, Chakra S., Doucet, Nicolas, Agarwal, Pratul K.

“…Enzyme superfamily members that share common chemical and/or biological functions also share common features. While the role of structure is well…”
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Conformational exchange divergence along the evolutionary pathway of eosinophil-associated ribonucleases by Bernard, David N., Narayanan, Chitra, Hempel, Tim, Bafna, Khushboo, Bhojane, Purva Prashant, Létourneau, Myriam, Howell, Elizabeth E., Agarwal, Pratul K., Doucet, Nicolas

“…The evolutionary role of conformational exchange in the emergence and preservation of function within structural homologs remains elusive. While protein…”
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De novo protein design by deep network hallucination by Anishchenko, Ivan, Pellock, Samuel J., Chidyausiku, Tamuka M., Ramelot, Theresa A., Ovchinnikov, Sergey, Hao, Jingzhou, Bafna, Khushboo, Norn, Christoffer, Kang, Alex, Bera, Asim K., DiMaio, Frank, Carter, Lauren, Chow, Cameron M., Montelione, Gaetano T., Baker, David

“…There has been considerable recent progress in protein structure prediction using deep neural networks to predict inter-residue distances from amino acid…”
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Structure function characterization of SARS CoV2 proteases for COVID19 antiviral development by Greene-Cramer, Rebecca, Bafna, Khushboo, White, Kris, Harish, Balasubramanian, Rosales, Romel, Ramelot, Theresa, Acton, Thomas B., Del Olmo, Elena Moreno, Kehrer, Thomas, Miorin, Lisa, Royer, Catherine A., Garcia-Sastre, Adolfo, Krug, Robert, Montelione, Gaetano T.

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Functionally Important Conformational Sub‐States in Human Ribonuclease Family by Bafna, Khushboo, Narayanan, Chitra, Bhojane, Purva P, Bernard, David, Howell, Elizabeth E, Doucet, Nicolas, Agarwal, Pratul K

“…Eight members of the human pancreatic ribonuclease (RNase) family have diverse biological functions including angiogenesis and host defense (cytotoxic and…”
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Structural similarities between SARS-CoV2 3CL pro and other viral proteases suggest potential lead molecules for developing broad spectrum antivirals by Bafna, Khushboo, Cioffi, Christopher L, Krug, Robert M, Montelione, Gaetano T

“…Considering the significant impact of the recent COVID-19 outbreak, development of broad-spectrum antivirals is a high priority goal to prevent future global…”
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Small Angle Neutron Scattering Studies of R67 Dihydrofolate Reductase, a Tetrameric Protein with Intrinsically Disordered N‑Termini by Bhojane, Purva P, Duff, Michael R, Bafna, Khushboo, Agarwal, Pratul, Stanley, Christopher, Howell, Elizabeth E

“…R67 dihydrofolate reductase (DHFR) is a homotetramer with a single active site pore and no sequence or structural homology with chromosomal DHFRs. The R67…”
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Insights into Structural and Dynamical Changes Experienced by Human RNase 6 upon Ligand Binding by Narayanan, Chitra, Bernard, David N, Létourneau, Myriam, Gagnon, Jacinthe, Gagné, Donald, Bafna, Khushboo, Calmettes, Charles, Couture, Jean-François, Agarwal, Pratul K, Doucet, Nicolas

“…Ribonuclease 6 (RNase 6) is one of eight catalytically active human pancreatic-type RNases that belong to a superfamily of rapidly evolving enzymes. Like some…”
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