This crowdsourcing for open source COVID-19 drug repurposing research project can be broken down into the following steps:
A. Crowdsource to build a systems biology model for the virus, and for drug target identification
(i) Search literature, and characterize each of the proteins of SARS-CoV-2 (COVID_19), as well as their homologues.
(ii) Place all of these proteins in their functional context; namely, specific to the host target and its self-assembly.
(iii) Identify the most essential proteins as the specific targets of interest for therapeutic development (e.g., Spike Trimer, TMPRSS2, etc.).
(iv) Build InSilco 3D structures, based on homology modeling.
(v) Undertake molecular docking for each target.
(vii) Examine at the interacting surface of the spike trimmer protein and search for potential inhibitors.
B. Virus target on host receptor (ACE2) modeling.
(i) Identify all of the host receptor (ACE2) polymorphisms in the various populations profiled in the global each population human genome databases. Try to correlate these with the potential affinity variation with spike protein.
(ii) Search (in silico) for inhibitors that can block this interaction.
C. Host factors that can protect from the virus
(i) Various host miRNA and other variabilities that can target the virus RNA and block processing and/or degrade the viral RNA.
(ii) Determine what targets can reduce a cytokine storm.
Project conceptualized by and mentored by Professor Samir K. Brahmachari.
View general discussion about OSP Idea Factory: C-19 Drug Discovery Hypotheses here.
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