Exploring the Binding Efficacy of Ivermectin Against the Key Proteins of SARS-CoV-2 Pathogenesis: an in silico Approach | Zendy

Abhigyan Choudhury | Zendy; Nabarun Chandra Das | Zendy; Ritwik Patra | Zendy; Manojit Bhattacharya | Zendy; Pratik Ghosh | Zendy; Bidhan Chandra Patra | Zendy; Suprabhat Mukherjee | Zendy

Open Access

Exploring the Binding Efficacy of Ivermectin Against the Key Proteins of SARS-CoV-2 Pathogenesis: an in silico Approach

Author(s) -

Abhigyan Choudhury,

Nabarun Chandra Das,

Ritwik Patra,

Manojit Bhattacharya,

Pratik Ghosh,

Bidhan Chandra Patra,

Suprabhat Mukherjee

Publication year - 2021

Publication title -

future virology

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.462

H-Index - 34

eISSN - 1746-0808

pISSN - 1746-0794

DOI - 10.2217/fvl-2020-0342

Subject(s) - in silico , ivermectin , pathogenesis , computational biology , covid-19 , key (lock) , biology , virology , medicine , immunology , genetics , pathology , veterinary medicine , gene , disease , infectious disease (medical specialty) , ecology

Aim: COVID-19 is currently the biggest threat to mankind. Recently, ivermectin (a US FDA-approved antiparasitic drug) has been explored as an anti-SARS-CoV-2 agent. Herein, we have studied the possible mechanism of action of ivermectin using in silico approaches. Materials & methods: Interaction of ivermectin against the key proteins involved in SARS-CoV-2 pathogenesis were investigated through molecular docking and molecular dynamic simulation. Results: Ivermectin was found as a blocker of viral replicase, protease and human TMPRSS2, which could be the biophysical basis behind its antiviral efficiency. The antiviral action and ADMET profile of ivermectin was on par with the currently used anticorona drugs such as hydroxychloroquine and remdesivir. Conclusion: Our study enlightens the candidature of ivermectin as an effective drug for treating COVID-19.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research