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Biological and Medicinal Chemistry

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In Silico Screening of Natural Products Isolated from Mexican Herbal Medicines Against COVID-19

Juan Carlos Gomez Verjan, Nadia Alejandra Rivero-Segyra

Version 1 posted 15 December 2020

418

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Biological and Medicinal Chemistry

Working Paper

in Silico Docking and Molecular Dynamic Simulation of 3-Dehydroquinate Dehydratase from Mycobacterium Tuberculosis Through Virtual Screening and Pharmacokinetics Studies

Mustafa Alhaji Isa, Muhammad M Ibrahim

Version 1 posted 19 June 2020

399

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Biological and Medicinal Chemistry

Working Paper

An Overview of Coronaviruses: In-Silico Approach to Decipher Anti-SARS-CoV-2 Natural Products

Patil Shivprasad Suresh, Shiv Shankar Gupta, Anmol Sharma, Upendra Sharma

Version 1 posted 10 August 2020

655

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1

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Theoretical and Computational Chemistry

Working Paper

ChemInformatics Model Explorer (CIME): Exploratory analysis of chemical model explanations

Christina Humer, Henry Heberle, Floriane Montanari, Thomas Wolf, Florian Huber, Ryan Henderson, Julian Heinrich, Marc Streit

Version 1 posted 01 December 2021

493

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Biological and Medicinal Chemistry

Working Paper

A Multi-Pronged Approach Targeting SARS-CoV-2 Proteins Using Ultra-Large Virtual Screening

Christoph Gorgulla, Krishna PadmanabhaDas, Kendra E. Leigh, Marco Cespugli, Patrick D. Fischer, Zi-Fu Wang, Guilhem Tesseyre, Shreya Pandita, Alec Shnapir, Anthony Calderaio, Colin Hutcheson, Minko Gechev, Alexander Rose, Noam Lewis, Erez Yaffe, Roni Luxenburg, Henry D. Herce, Vedat Durmaz, Thanos D. Halazonetis, Konstantin Fackeldey, Justin J. Patten, Alexander Chuprina, Igor Dziuba, Alla Plekhova, Yurii Moroz, Dmytro Radchenko, Olga Tarkhanova, Irina Yavnyuk, Christian C. Gruber, Ryan Yust, Dave Payne, Anders M. Näär, Mark N. Namchuk, Robert A. Davey, Gerhard Wagner, Jamie Kinney, Haribabu Arthanari

Version 1 posted 24 July 2020

1,770

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Biological and Medicinal Chemistry

Working Paper

In Silico Molecular Docking and Molecular Dynamic Simulation of Potential Inhibitors of 3C-like Main Proteinase (3CLpro) from Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) Using Selected African Medicinal Plants

Sahar Qazi, Mustafa Alhaji Isa, Adam Mustapha, Khalid Raza, Ibrahim Alkali Allamin, Muhammad M Ibrahim, Mohammed Mustapha Mohammed

Version 1 posted 18 June 2020

605

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Biological and Medicinal Chemistry

Working Paper

Antiretroviral Drug Activity and Potential for Pre-Exposure Prophylaxis Against COVID-19 and HIV Infection

Dennis C. Copertino Jr., Bruno Lima, Rodrigo Duarte, Timothy Wilkin, Roy Gulick, Miguel de Mulder Rougvie, Douglas Nixon

Version 1 posted 07 May 2020

1,268

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3

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Biological and Medicinal Chemistry

Working Paper

COVID19 Approved Drug Repurposing: Pocket Similarity Approach

Mohamed Fadlalla

Version 1 posted 28 July 2020

560

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1

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Biological and Medicinal Chemistry

Working Paper

Collaborative Virtual Screening to Elaborate an Imidazo[1,2-A]pyridine Hit Series for Visceral Leishmaniasis

Benjamin Perry, yuichiro akao, Stacie Canan, Yafeng Cao, Kevin Condroski, Ola Engkvist, sachiko itono, rina kaki, chiaki kimura, Thierry Kogej, Charles E. Mowbray, kazuya nagaoka, Akira Naito, Hiromi Nakai, Garry Pairaudeau, Constantin Radu, Ieuan Roberts, mitsuyuki shimada, David Shum, Nao-aki Watanabe, huanxu xie, Shuji Yonezawa, Osamu Yoshida, Ryu Yoshida

Version 1 posted 04 November 2020

368

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Biological and Medicinal Chemistry

Working Paper

Identification of SARS-CoV-2 Papain-like protease (PLpro) inhibitors using combined computational approach

Milan Sencanski, Vladimir Perovic, Jelena Milicevic, Tamara Todorovic, Radivoje Prodanovic, Veljko Veljkovic, Slobodan Paessler, Sanja Glisic

Version 2 posted 04 October 2021

514

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13 results in In silico in Keywords: In silico

In Silico Screening of Natural Products Isolated from Mexican Herbal Medicines Against COVID-19

in Silico Docking and Molecular Dynamic Simulation of 3-Dehydroquinate Dehydratase from Mycobacterium Tuberculosis Through Virtual Screening and Pharmacokinetics Studies

An Overview of Coronaviruses: In-Silico Approach to Decipher Anti-SARS-CoV-2 Natural Products

ChemInformatics Model Explorer (CIME): Exploratory analysis of chemical model explanations

A Multi-Pronged Approach Targeting SARS-CoV-2 Proteins Using Ultra-Large Virtual Screening

In Silico Molecular Docking and Molecular Dynamic Simulation of Potential Inhibitors of 3C-like Main Proteinase (3CLpro) from Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) Using Selected African Medicinal Plants

Antiretroviral Drug Activity and Potential for Pre-Exposure Prophylaxis Against COVID-19 and HIV Infection

COVID19 Approved Drug Repurposing: Pocket Similarity Approach

Collaborative Virtual Screening to Elaborate an Imidazo[1,2-A]pyridine Hit Series for Visceral Leishmaniasis

Identification of SARS-CoV-2 Papain-like protease (PLpro) inhibitors using combined computational approach

13 results in Keywords: In silico