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7 results in Keywords: Drug repositioning

Prediction of Binding Pose and Affinity of SARS-CoV-2 Main Protease and Repositioned Drugs by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations

Yuma Handa, Koji Okuwaki, Yusuke Kawashima, Ryo Hatada, Yuji Mochizuki, Yuto Komeiji, Shigenori Tanaka, Takayuki Furuishi, Etsuo Yonemochi, Teruki Honma, Kaori Fukuzawa

Version 1 posted 25 July 2023

240

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Biological and Medicinal Chemistry

Working Paper

In Silico Drug Repositioning Against Human NRP1 to Block SARS-CoV-2 Host Entry

Seref Gul

Version 1 posted 21 December 2020

510

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Biological and Medicinal Chemistry

Working Paper

Repurposing FDA-Approved Drugs for COVID-19 Using a Data-Driven Approach

Rodrigo R. R. Duarte, Dennis C. Copertino Jr., Luis P. Iñiguez, Jez L. Marston, Douglas F. Nixon, Timothy R. Powell

Version 1 posted 21 April 2020

2,536

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Citations

Biological and Medicinal Chemistry

Working Paper

A Computational Framework of Host-Based Drug Repositioning for Broad-Spectrum Antivirals against RNA Viruses

Zexu Li, Yingjia Yao, Xiaolong Cheng, Qing Chen, Wenchang Zhao, Shixin Ma, Zihan Li, Hu Zhou, Wei Li, Teng Fei

Version 1 posted 08 September 2020

489

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Citations

Biological and Medicinal Chemistry

Working Paper

Supercomputer-aided Drug Repositioning at Scale: Virtual Screening for SARS-CoV-2 Protease Inhibitor

Sangjae Seo, Jung Woo Park, Dosik An, Junwon Yoon, Hyojung Paik, Soonwook Hwang

Version 1 posted 10 April 2020

1,640

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Theoretical and Computational Chemistry

Working Paper

Structural parameters of the interaction between ciprofloxacin and human topoisomerase-II β enzyme: toward new 19F NMR Chemical Shift probes

Thais Aparecida Sales, Teodorico de Castro Ramalho, Mateus Aquino Gonçalves

Version 1 posted 23 November 2022

117

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Analytical Chemistry

Working Paper

An Integrative Resource for Network-Based Investigation of COVID-19 Combinatorial Drug Repositioning and Mechanism of Action

A K M Azad, Shadma Fatima, Alexander Capraro, Shafagh A. Waters, Fatemeh Vafaee

Version 2 posted 12 July 2021

780

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7 results in Drug repositioning in Keywords: Drug repositioning

Prediction of Binding Pose and Affinity of SARS-CoV-2 Main Protease and Repositioned Drugs by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations

In Silico Drug Repositioning Against Human NRP1 to Block SARS-CoV-2 Host Entry

Repurposing FDA-Approved Drugs for COVID-19 Using a Data-Driven Approach

A Computational Framework of Host-Based Drug Repositioning for Broad-Spectrum Antivirals against RNA Viruses

Supercomputer-aided Drug Repositioning at Scale: Virtual Screening for SARS-CoV-2 Protease Inhibitor

Structural parameters of the interaction between ciprofloxacin and human topoisomerase-II β enzyme: toward new 19F NMR Chemical Shift probes

An Integrative Resource for Network-Based Investigation of COVID-19 Combinatorial Drug Repositioning and Mechanism of Action

7 results in Keywords: Drug repositioning