Comparative Docking Studies on Curcumin with COVID-19 Proteins

Suravajhala et al., MDPI AG, doi:10.20944/preprints202005.0439.v3 (Preprint)

Suravajhala et al., Comparative Docking Studies on Curcumin with COVID-19 Proteins, MDPI AG, doi:10.20944/preprints202005.0439.v3 (Preprint)

Jun 2020 Source PDF

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In Silico study reporting that ivermectin had the best affinity towards all targeted proteins and showed efficient binding to non-structural proteins.

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This study includes ivermectin and curcumin.

Suravajhala et al., 7 Jun 2020, preprint, 8 authors.

Contact: giri@genomixbiotech.com (corresponding author), prash@bisr.res.in.

In Silico studies are an important part of preclinical research, however results may be very different in vivo.

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Comparative Docking Studies on Curcumin with COVID-19 Proteins

Renuka Suravajhala, Abhinav Parashar, Babita Malik, Viswanathan Arun Nagaraj, Govindarajan Padmanaban, P B Kavi Kishor, Rathnagiri Polavarapu, Prashanth Suravajhala

doi:10.20944/preprints202005.0439.v3

Highlights 1. Our findings confirm the role of Q163 aminoacid site for potential tethered site or target which is in agreement with ivermectin, the best possible and known drug. 2. We have employed a rigorous strategy in screening the docking complexes from a majority of hypothetical genes or orphan open reading frames, structural and non-structural proteins. 3. We believe that the findings presented in our paper will appeal to researchers working on COVID-19, particularly those interested to characteristically screen docking complexes.

Author contributions: GP, PBK and RP ideated the project. RS and AP jointly analysed the structures and modelled the docking complexes. PS performeddid the protein interaction analyses. AP and RS wrote the first draft with PS, PBK, BM and RP. GP, PBK, PS, VAN and RP proofread the manuscript. Competing interests: None

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