A description of the potential of molecular docking technology applications to treating disease such as COVID.

1. FINDING REMEDIES:
MOLECULAR DOCKING

2. As this is being written, the world is
struggling with the pandemic that occurred
in the year 2020.
From the perspective of this point in time,
there may be future pandemics.

3. The goal of this presentation is introduce
computer simulation technologies for drug discovery,
namely CADD or Computer Aided Drug Design
to the general public.

4. In 2020, a popular medical article on the internet
is actually using a CADD software incorrectly
and drawing incorrect conclusions on the pathway
for the development of treatment strategies.

5. At this point, the general public has, in some cases,
incorrect information on effective strategies for
dealing with a global pandemic.

6. Molecular docking is a methodology in CADD
to find the molecules that will bond.
With virology, the ability of a chemical that
could bond to the proteins of a specific virus
can be simulated.

7. In 2020, this is being used to find the
pathway of the virus covid-19
as it enters the human body.
Computer simulation has shown that
the virus bonds to
angiotensin converting enzyme 2 (ACE-2).

8. Simulated Annealing (SA) is a
technology used for molecular docking
for finding the ideal chemicals that can
bond to the proteins of a specific virus.

9. Simulated Annealing (SA) is a methodology based
on its analogy to annealing in metallurgy.
SA is used in electronics design automation as well.

10. SA and Molecular Docking both
seek the lowest energy state as the
functioning process for
finding a chemical that would bond or
dock to a virus.

11. An example of a material that can be tested by
means of computer simulation technologies
is what is called a virus-like properties (VLP)
vaccine.

12. VLPs are nanoscale, self-assembling proteins
that mimic a viral particle.
Using Simulated Annealing (a CADD technology),
VLPs can be tested “in silico” (in computer
simulation).

13. The preceding was from a 2020 online video
presentation.
The following are updates on COVID-19 vaccine
technology in 2022:

14. At the present time, 4/2022, VLP
vaccinations against COVID-19 and its
variants are in the development stage.
CADD has been instrumental for it to get
to this stage.