Posts by Marko Jukic

1) Message boards : News : Project status: May 2022 (Message 1649)
Posted 10 days ago by Marko Jukic
Post:
Dear SiDock@home community,

This international scientific drug discovery project is going diligently on!

with respect to our previous target study plans, there were some alterations from the plan published in Project status: March 2022. Namely, after nsp14 we continued with SARS-CoV-2 targets. We are studying allosteric binding sites on SARS-CoV-2 3CLpro and PLpro proteases due to engaging results and collaboration towards further illuminating 3Clpro and PLpro drug design potential. Sadly this pathogen causes global health problems and is still of grave concern. However computational engagement on these studies are coming to an end and we are turning our attention toward therapeutic targets of the Ebola viral pathogen to return back to SARS-CoV-2 on demand.

Your support keeps us going and thank You again SiDock@home community !!!

All health, luck, and Peace to all!
Marko Jukic
2) Message boards : News : Project status: March 2022 (Message 1648)
Posted 10 days ago by Marko Jukic
Post:
Dear SiDock@home community,

This international scientific drug discovery project is going diligently on!

with respect to our previous target study plans, there were some alterations from the plan published in Project status: March 2022. Namely, after nsp14 we continued with SARS-CoV-2 targets. We are studying allosteric binding sites on SARS-CoV-2 3CLpro and PLpro proteases due to engaging results and collaboration towards further illuminating 3Clpro and PLpro drug design potential. Sadly this pathogen causes global health problems and is still of grave concern. However computational engagement on these studies are coming to an end and we are turning our attention toward therapeutic targets of the Ebola viral pathogen to return back to SARS-CoV-2 on demand. (will repost in project status May.)

Your support keeps us going and thank You again SiDock@home community !!!

All health, luck, and Peace to all!
Marko Jukic
3) Message boards : News : Project status: March 2022 (Message 1570)
Posted 14 Mar 2022 by Marko Jukic
Post:
Dear SiDock@home community,

Here is an update on our work. This international scientific drug
discovery project is well on its way towards its first milestone of
experimental support for the docked compounds. We are working hard
towards data processing and scientific collaborations that can help us
take our proposed compounds further. In the near future, we will prepare
a scientific write-up for You to follow.

This international drug discovery project is a wonderful example of
community, citizen science, teamwork, and contributing to the field of
medicinal chemistry with the ultimate goal of contributing to the
wellbeing of us all. Our heart goes out to all!

We also thank You for the help and support that keeps us going.
Currently, our servers reside in Russia and Slovenia. This enables us
easier task allocation and backup of the results and we hope to add a
third location with additional hardware in the future. Due to the
community request, we also plan to add official Mac and ARM64 support
for the underlying CmDock software.

Moreover, we are continuing with a new target, still from the SARS-CoV-2
pathogen, namely nsp14. It consists of the N-terminal ExoN domain
involved in proofreading and the C-terminal guanine N7 methyl
transferase (N7-MTase) domain that functions in mRNA capping and on the
latter we are focusing on now.

After this target is complete, we are turning our attention towards one
potential therapeutic target of the Ebola viral pathogen to return back
to SARS-CoV-2 after that target will be complete.

We are committed to this drug discovery project and the online
community, hope to expand and we look forward to working and discovering
new molecules and compound mechanisms of action in the future.

All health, luck, and peace to all!
Marko Jukic




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