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Cathepsin-Targeting SARS-CoV-2 Inhibitors: Design, Synthesis, and Biological Activity

Philipp Flury, Julian Breidenbach, Nadine Krüger, Rabea Voget, Laura Schäkel, Yaoyao Si, Vesa Krasniqi, Sara Calistri, Matthias Olfert, Katharina Sylvester, Cheila Rocha, Raphael Ditzinger, Alexander Rasch, Stefan Pöhlmann, Thales Kronenberger, Antti Poso, Katharina Rox, Stefan A. Laufer, Christa E. Müller, Michael Gütschow, Thanigaimalai Pillaiyar

Version 1 posted 07 November 2023

312

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Biological and Medicinal Chemistry

Working Paper

VIRTUAL SCREENING OF CYANOBACTERIAL METABOLITES AS INHIBITORS OF SARS-CoV-2 HOST CELL ENTRY, VIRAL REPLICATION, AND HOST IMMUNITY MODULATION INFECTIVE MECHANISMS

Viktor Aloysius Fellizar, Aaron Cyrus Concepcion, Emmanuel Louise Furaque, Angela Maxine Fabian, Von Novi de Leon, Delfin Yñigo IV Pilapil, Mark Tristan Quimque, Kin Israel Notarte, Allan Patrick Macabeo

Version 1 posted 01 February 2022

312

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Biological and Medicinal Chemistry

Working Paper

Evidence for multiple binding modes in the initial contact between SARS-CoV-2 spike S1 protein and cell surface glycans

Michela Parafioriti, Minghong Ni, Maurice Petitou, Courtney J. Mycroft-West, Timothy R. Rudd, Neha S. Gandhi, Vito Ferro, Jeremy E. Turnbull, Marcelo A. Lima, Mark A. Skidmore, David G. Fernig, Edwin A. Yates, Antonella Bisio, Marco Guerrini, Stefano Elli

Version 2 posted 19 August 2022

402

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Theoretical and Computational Chemistry

Working Paper

Phytochemical Drug Discovery for COVID-19 Using High-resolution Computational Docking and Machine Learning Assisted Binder Prediction

Zirui Wang, Theodore Belecciu, Joelle Eaves, Mark Reimers, Michael Bachmann, Daniel Woldring

Version 2 posted 13 July 2022

787

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Biological and Medicinal Chemistry

Working Paper

Rational design of highly potent SARS-CoV-2 nsp14 methyltransferase inhibitors

Milan Stefek, Dominika Chalupska, Karel Chalupsky, Michala Zgarbova, Alexandra Dvorakova, Petra Krafcikova, Alice Shi Ming Li, Michal Sala, Milan Dejmek, Tomas Otava, Ema Chaloupecka, Masoud Vedadi, Jan Weber, Helena Mertlikova-Kaiserova, Radim Nencka

Version 1 posted 13 March 2023

329

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Biological and Medicinal Chemistry

Working Paper

Hexahydropyrrolo-[2,3-b]-indole Containing Alkaloids as a SARS-CoV-2 Inhibitors: An Integrated Multi-Target Based in-silico Approach

Debasish Mandal

Version 1 posted 08 December 2023

132

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Organic Chemistry

Working Paper

Two short approaches to the COVID-19 drug beta-D-N4- hydroxycytidine and its prodrug molnupiravir

Kevin Persaud, Rajesh Sahu, Michelle Neary, Anant Kapdi, Mahesh Lakshman

Version 1 posted 13 December 2023

179

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Theoretical and Computational Chemistry

Working Paper

Structural, Dynamical, and Entropic Differences Between SARS-CoV and SARS-CoV-2 s2m Elements Using Molecular Dynamics Simulations

Adam H. Kensinger, Joseph A. Makowski, Kendy A. Pellegrene, Joshua A. Imperatore, Caylee L. Cunningham, Caleb J. Frye, Patrick E. Lackey, Mihaela-Rita Mihailescu, Jeffrey D. Evanseck

Version 2 posted 20 July 2022

237

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Theoretical and Computational Chemistry

Working Paper

SARS-Cov-2 Delta Variant Decreases Nanobody Binding and ACE2 Blocking Effectivity

Mert Golcuk, Aysima Hacisuleyman, Sema Zeynep Yilmaz, Elhan Taka, Ahmet Yildiz, Mert Gur

Version 2 posted 29 April 2022

237

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Biological and Medicinal Chemistry

Working Paper

Discovery of all-D-peptide inhibitors of SARS CoV 2 3C-like protease

Raphael Eberle, Marc Sevenich, Ian Gering, Lara Scharbert, Birgit Strodel, Karoline Santur, Jeannine Mohrlüder, Mônika Coronado, Dieter Willbold

Version 1 posted 14 June 2022

251

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243 results in CoViD-19 in Keywords: CoViD-19

Cathepsin-Targeting SARS-CoV-2 Inhibitors: Design, Synthesis, and Biological Activity

VIRTUAL SCREENING OF CYANOBACTERIAL METABOLITES AS INHIBITORS OF SARS-CoV-2 HOST CELL ENTRY, VIRAL REPLICATION, AND HOST IMMUNITY MODULATION INFECTIVE MECHANISMS

Evidence for multiple binding modes in the initial contact between SARS-CoV-2 spike S1 protein and cell surface glycans

Phytochemical Drug Discovery for COVID-19 Using High-resolution Computational Docking and Machine Learning Assisted Binder Prediction

Rational design of highly potent SARS-CoV-2 nsp14 methyltransferase inhibitors

Hexahydropyrrolo-[2,3-b]-indole Containing Alkaloids as a SARS-CoV-2 Inhibitors: An Integrated Multi-Target Based in-silico Approach

Two short approaches to the COVID-19 drug beta-D-N4- hydroxycytidine and its prodrug molnupiravir

Structural, Dynamical, and Entropic Differences Between SARS-CoV and SARS-CoV-2 s2m Elements Using Molecular Dynamics Simulations

SARS-Cov-2 Delta Variant Decreases Nanobody Binding and ACE2 Blocking Effectivity

Discovery of all-D-peptide inhibitors of SARS CoV 2 3C-like protease

243 results in Keywords: CoViD-19