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Theoretical and Computational Chemistry

Working Paper

Molecular Insights into the Binding Interaction of the First Class of Potent Small Molecules Disrupting the YAP-TEAD Protein-Protein Interaction

Ernest Awoonor-Williams, Callum Dickson, Pascal Furet, Andrei Golosov, Viktor Hornak

Version 1 posted 07 March 2023

309

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Biological and Medicinal Chemistry

Working Paper

Peptidomimetic small-molecule inhibitors of 3CLPro activity and Spike-ACE2 interaction: towards dual-action molecules against Coronavirus infections

Filomena Tedesco, Lorenzo Calugi, Elena Lenci, Andrea Trabocchi

Version 1 posted 18 April 2022

253

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Biological and Medicinal Chemistry

Working Paper

Allosteric Modulation of PCSK9-LDLR Interaction: Can Structureless Loops be Drug Targets?

Ipsita Basu, Krishnendu Sinha, Zacharia Shah, Salim Shah, Suman Chakrabarty

Version 1 posted 31 October 2022

439

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Biological and Medicinal Chemistry

Working Paper

HSADab: A Comprehensive Database for Human Serum Albumin

Lei Zheng, Zhaoyi Zeng, Yao Zhao, Xiao Liu, Zhe Huai, Xudong Zhang, Zhaoxi Sun, John Z.H. Zhang

Version 1 posted 20 May 2024

174

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1

Citations

Biological and Medicinal Chemistry

Working Paper

From Aggregation to Inhibition: N-Amination Converts Amyloidogenic Tau Peptides into Soluble Antagonists of Cellular Seeding

Kamlesh Makwana, Matthew P. Sarnowski, Jiyuan Miao, Yu-Shan Lin, Juan Del Valle

Version 1 posted 26 April 2021

368

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Biological and Medicinal Chemistry

Working Paper

Drug Repurposing for Covid-19: Discovery of Potential Small-Molecule Inhibitors of Spike Protein-ACE2 Receptor Interaction Through Virtual Screening and Consensus Scoring

Sachin Patil, Jeremy Hofer, Pedro J. Ballester, Elena Fattakhova, Juliette DiFlumeri, Autumn Campbell, Michael Oravic

Version 1 posted 17 June 2020

1,802

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6

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Biological and Medicinal Chemistry

Working Paper

Myxobacterial Depsipeptide Chondramides Interrupt SARS-CoV-2 Entry by Targeting Its Broad, Cell Tropic Spike Protein: Antagonistic Prospects for Anti-COVID-19 Drug Discovery

Rey Arturo T. Fernandez, Mark Tristan J. Quimque, Kin Israel Notarte, Joe Anthony Manzano, Delfin Yñigo H. Pilapil, Von Novi de Leon, John Jeric P. San Jose, Omar Villalobos, Allan Patrick Macabeo

Version 1 posted 17 February 2021

432

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1

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Biological and Medicinal Chemistry

Working Paper

Target-directed dynamic combinatorial chemistry affords inhibitors of Nsp10 as potential antivirals against SARS-CoV-2

Ravindra P. Jumde, Gwenaëlle Jézéquel, Margarida Saramago, Nicolas Frank, Sebastian Adam, Marta V. Cunha, Chantal Bader, Antonia P. Gunesch, Natalie M. Köhler, Sandra Johannsen, Thomas Pietschmann, Rute G. Matos, Rolf Müller, Cecilia M. Arraiano, Anna K. H. Hirsch

Version 1 posted 31 January 2023

300

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Biological and Medicinal Chemistry

Working Paper

Expanding the Structural Diversity at the Phenylene Core of Ligands for the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Development of Highly Potent Hypoxia-Inducible Factor-1alpha (HIF-1alpha) Stabilizers

Lan Phuong Vu, Claudia Diehl, Ryan Casement, Adam Bond, Christian Steinebach, Nika Strasek, Alesa Bricelj, Andrej Perdih, Gregor Schnakenburg, Izidor Sosic, Alessio Ciulli, Michael Gutschow

Version 2 posted 01 August 2023

1,204

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Biological and Medicinal Chemistry

Working Paper

Structural and Functional Elucidation of IF-3 Protein of Chloroflexus aurantiacus Involved in Protein Biosynthesis: An In-Silico Approach

Abu Saim Mohammad Saikat, Md. Ekhlas Uddin, Tasnim Ahmad, Shahriar Mahmud, Md. Abu Sayeed Imran, Sohel Ahmed, Salem A. Alyami, Mohammad Ali Moni

Version 2 posted 12 April 2021

361

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16 results in protein-protein interaction in Keywords: protein-protein interaction

Molecular Insights into the Binding Interaction of the First Class of Potent Small Molecules Disrupting the YAP-TEAD Protein-Protein Interaction

Peptidomimetic small-molecule inhibitors of 3CLPro activity and Spike-ACE2 interaction: towards dual-action molecules against Coronavirus infections

Allosteric Modulation of PCSK9-LDLR Interaction: Can Structureless Loops be Drug Targets?

HSADab: A Comprehensive Database for Human Serum Albumin

From Aggregation to Inhibition: N-Amination Converts Amyloidogenic Tau Peptides into Soluble Antagonists of Cellular Seeding

Drug Repurposing for Covid-19: Discovery of Potential Small-Molecule Inhibitors of Spike Protein-ACE2 Receptor Interaction Through Virtual Screening and Consensus Scoring

Myxobacterial Depsipeptide Chondramides Interrupt SARS-CoV-2 Entry by Targeting Its Broad, Cell Tropic Spike Protein: Antagonistic Prospects for Anti-COVID-19 Drug Discovery

Target-directed dynamic combinatorial chemistry affords inhibitors of Nsp10 as potential antivirals against SARS-CoV-2

Expanding the Structural Diversity at the Phenylene Core of Ligands for the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Development of Highly Potent Hypoxia-Inducible Factor-1alpha (HIF-1alpha) Stabilizers

Structural and Functional Elucidation of IF-3 Protein of Chloroflexus aurantiacus Involved in Protein Biosynthesis: An In-Silico Approach

16 results in Keywords: protein-protein interaction