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In silicoPotential of Approved Antimalarial Drugs for Repurposing Against COVID-19

Sachdeva, Cheryl (author)
Amity Univ Uttar Pradesh, Amity Inst Virol & Immunol, Sect 25, Noida 201313, Uttar Pradesh, India.
Wadhwa, Anju (author)
Univ Delhi, Dept Chem, North Campus,Univ Enclave, Delhi, India.
Kumari, Anita (author)
Amity Univ Uttar Pradesh, Amity Inst Virol & Immunol, Sect 25, Noida 201313, Uttar Pradesh, India.
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Hussain, Firasat (author)
Univ Delhi, Dept Chem, North Campus,Univ Enclave, Delhi, India.
Jha, Preeti (author)
Uppsala universitet,Medicinsk strålningsvetenskap
Kaushik, Naveen K. (author)
Amity Univ Uttar Pradesh, Amity Inst Virol & Immunol, Sect 25, Noida 201313, Uttar Pradesh, India.
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Amity Univ Uttar Pradesh, Amity Inst Virol & Immunol, Sect 25, Noida 201313, Uttar Pradesh, India Univ Delhi, Dept Chem, North Campus,Univ Enclave, Delhi, India. (creator_code:org_t)
MARY ANN LIEBERT, INC, 2020
2020
English.
In: Omics. - : MARY ANN LIEBERT, INC. - 1536-2310 .- 1557-8100. ; 24:10, s. 568-580
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • Although the coronavirus disease 2019 (COVID-19) pandemic caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is wreaking havoc and resulting in mortality and morbidity across the planet, novel treatments are urgently needed. Drug repurposing offers an innovative approach in this context. We report here new findings on thein silicopotential of several antimalarial drugs for repurposing against COVID-19. We conducted analyses by docking the compounds against two SARS-CoV-2-specific targets: (1) the receptor binding domain spike protein and (2) the main protease of the virus (M-Pro) using the Schrodinger software. Importantly, the docking analysis revealed that doxycycline (DOX) showed the most effective binding to the spike protein of SARS-CoV-2, whereas halofantrine and mefloquine bound effectively with the main protease among the antimalarial drugs evaluated in the present study. Thein silicoapproach reported here suggested that DOX could potentially be a good candidate for repurposing for COVID-19. In contrast, to decipher the actual potential of DOX and halofantrine against COVID-19, furtherin vitroandin vivostudies are called for. Drug repurposing warrants consideration as a viable research and innovation avenue as planetary health efforts to fight the COVID-19 continue.

Subject headings

MEDICIN OCH HÄLSOVETENSKAP  -- Klinisk medicin -- Infektionsmedicin (hsv//swe)
MEDICAL AND HEALTH SCIENCES  -- Clinical Medicine -- Infectious Medicine (hsv//eng)

Keyword

COVID-19
SARS-CoV-2
drug repurposing
antimalarial drugs
drug development
planetary health

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Sachdeva, Cheryl
Wadhwa, Anju
Kumari, Anita
Hussain, Firasat
Jha, Preeti
Kaushik, Naveen ...
About the subject
MEDICAL AND HEALTH SCIENCES
MEDICAL AND HEAL ...
and Clinical Medicin ...
and Infectious Medic ...
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Omics
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Uppsala University

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