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Catalysis

Working Paper

Data-driven Workflow for the Development and Discovery of N-oxyl Hydrogen Atom Transfer Catalysts

Cheng Yang, Thérèse Wild, Yulia Rakova, Stephen Maldonado, Matthew Sigman, Corey Stephenson

Version 1 posted 28 October 2024

633

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Organic Chemistry

Working Paper

Identification of a privileged scaffold for inhibition of sterol transport proteins through the synthesis and ring distortion of diverse, pseudo-natural products

Frederik Simonsen Bro, Laura Depta, Nienke Dekker, Hogan Bryce-Rogers, Kaia Præstegaard, Tino Petersson, Thomas Whitmarsh-Everiss, Mariusz Kubus, Luca Laraia

Version 1 posted 24 July 2024

314

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Theoretical and Computational Chemistry

Working Paper

Cheminformatics Modeling of Closantel Analogues for Treating River Blindness

Melaine A. Kuenemann, Phyo Phyo Zin, Sravya Kuchibhotla, Denis Fourches

Version 1 posted 17 January 2020

500

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Organic Chemistry

Working Paper

Deep Alanine Scanning Reveals Potent Multi-alanine-substituted Protein–protein Interaction Inhibitors

Xiyun Ye, Yen-Chun Lee, Zachary P. Gates, Yingjie Ling, Jennifer Mortensen, Fan-Shen Yang, Yu-Shan Lin, Bradley Pentelute

Version 1 posted 21 January 2021

804

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Role of Guanidinium-Carboxylate Interaction in Enzyme Inhibition with Implication for Drug Design

Aswathy Muttathukattil, Sriraksha Srinivasan, Antarip Halder, Govardhan Reddy

Version 1 posted 02 July 2019

832

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Biological and Medicinal Chemistry

Working Paper

Pyrimidine-2-amines increase susceptibility of methicillin-resistant Staphylococcus aureus to penicillin G

Payton Thomas, Margaret Deming, Aurijit Sarkar

Version 2 posted 28 March 2022

331

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Theoretical and Computational Chemistry

Working Paper

A comprehensive evaluation of the potential binding poses of fentanyl and its analogs at the µ-opioid receptor

Bing Xie, Alexander Goldberg, Lei Shi

Version 2 posted 17 February 2022

541

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Biological and Medicinal Chemistry

Working Paper

Selective Carbonic Anhydrase IX and XII Inhibitors Based Around a Functionalized Coumarin Scaffold

Bader Huwaimel, Sravan Jonnalagadda, Shirisha Jonnalagadda, Shikha Kumari, Alessio Nocentinic, Claudiu Supuran, Trippier Paul

Version 1 posted 30 January 2023

213

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Biological and Medicinal Chemistry

Working Paper

Identification of Novel MR1 Ligands Derived from Herbal Medicines by MR1-Presentation Reporter Screening and Their Structure-Activity Relationship

Takuro Matsuoka, Akira Hattori, Shinya Oishi, Norihito Arichi, Hideaki Kakeya, Sho Yamasaki, Hiroaki Ohno, Shinsuke Inuki

Version 1 posted 07 November 2022

422

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Organic Chemistry

Working Paper

Novel non-canonical strigolactone analogs highlight selectivity for stimulating germination in two Phelipanche ramosa populations

Suzanne Daignan Fornier, Alexandre de Saint Germain, Pascal Retailleau, Jean-Paul Pillot, Quentin Taulera, Lucile Andna, Laurence Miesch, Soizic Rochange, Jean-Bernard Pouvreau, François-Didier Boyer

Version 1 posted 14 March 2022

319

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22 results in Structure-Activity Relationship in Keywords: Structure-Activity Relationship

Data-driven Workflow for the Development and Discovery of N-oxyl Hydrogen Atom Transfer Catalysts

Identification of a privileged scaffold for inhibition of sterol transport proteins through the synthesis and ring distortion of diverse, pseudo-natural products

Cheminformatics Modeling of Closantel Analogues for Treating River Blindness

Deep Alanine Scanning Reveals Potent Multi-alanine-substituted Protein–protein Interaction Inhibitors

Role of Guanidinium-Carboxylate Interaction in Enzyme Inhibition with Implication for Drug Design

Pyrimidine-2-amines increase susceptibility of methicillin-resistant Staphylococcus aureus to penicillin G

A comprehensive evaluation of the potential binding poses of fentanyl and its analogs at the µ-opioid receptor

Selective Carbonic Anhydrase IX and XII Inhibitors Based Around a Functionalized Coumarin Scaffold

Identification of Novel MR1 Ligands Derived from Herbal Medicines by MR1-Presentation Reporter Screening and Their Structure-Activity Relationship

Novel non-canonical strigolactone analogs highlight selectivity for stimulating germination in two Phelipanche ramosa populations

22 results in Keywords: Structure-Activity Relationship