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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

1,302

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2

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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

390

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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

651

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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

600

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Theoretical and Computational Chemistry

Working Paper

Computational simulations of Ru(II) complexes with coordinated jaborandi ligands and their potential for interaction with Trypanosoma cruzi proteases

Ézio Raul Alves de Sá, Ricardo Martins Ramos, Francisco das Chagas Alves Lima

Version 1 posted 08 May 2024

75

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Biological and Medicinal Chemistry

Working Paper

Docking-Based Computational Analysis of Guava (Psidium guajava) Leaves Derived Bioactive Compounds as Coagulation Factor IXa Inhibitor

Joseph De Luna, Shanahi Chelledie Gonzales, Jimuel Jan Nuqui

Version 1 posted 27 June 2024

95

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Theoretical and Computational Chemistry

Working Paper

In silico exploration of pyrocannabinoid interactions with key protein targets

Giovanni Ramirez, Tesfay Tesfatsion, Monica Pittiglio, Kyle Ray, Andrew Westerkamp, Westley Cruces

Version 1 posted 10 June 2024

137

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Theoretical and Computational Chemistry

Working Paper

Theoretical Investigation of Interactions between HIV-1 Tat and p53 proteins

Sinem Koseoglu, Cansu Yenici, Sena Celikbas, Serra Aygun, Y. Dicle Altun, Sefer Baday, Onur Alpturk

Version 1 posted 04 June 2024

113

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Physical Chemistry

Working Paper

DESIGN OF AN APTAMER BY SHAPE COMPLEMENTARITY MAXIMIZATION FOR INSULIN BINDING

Artem E. Kniga

Version 2 posted 22 June 2023

174

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Organic Chemistry

Working Paper

Decoding the Molecular Dance: In Silico Exploration of Cannabinoid Interactions with Key Protein Targets for Therapeutic Insights

Maite Docampo-Palcios, Giovanni Ramirez, Tesfay Tesfatsion, Monica Pittiglio, Kyle Ray, Westley Cruces

Version 2 posted 10 January 2024

514

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17 results in In silico in Keywords: In silico

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

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

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

COVID19 Approved Drug Repurposing: Pocket Similarity Approach

Computational simulations of Ru(II) complexes with coordinated jaborandi ligands and their potential for interaction with Trypanosoma cruzi proteases

Docking-Based Computational Analysis of Guava (Psidium guajava) Leaves Derived Bioactive Compounds as Coagulation Factor IXa Inhibitor

In silico exploration of pyrocannabinoid interactions with key protein targets

Theoretical Investigation of Interactions between HIV-1 Tat and p53 proteins

DESIGN OF AN APTAMER BY SHAPE COMPLEMENTARITY MAXIMIZATION FOR INSULIN BINDING

Decoding the Molecular Dance: In Silico Exploration of Cannabinoid Interactions with Key Protein Targets for Therapeutic Insights

17 results in Keywords: In silico