About VESID and our development of antiviral prophylactics and therapeutics

VESID = Viral Entry Structural Integrity Disruption

The core of VESID research the right molecules for use in antiviral action and in formulating such active chemical agents in a manner that is practical, safe and conducive for use by large and open-ended populations. This entails, necessarily:

A singificant component of VESID is the

TDM -- Topological Dynamics Modeler
(aka VDM - Viral Dynamics Modeler)

TDM is intended as a methodology, not as a specific and certainly not as a new stand-alone software engine. (TDM software operates within the ROSETTA molecular biology modeling and simulation environment.)

Its purpose is to enable: identification of structural locations within viruses that can be affected by external agents such as drug molecules to create disruptions in the viral structure that will prevent the virus from completing its “normal process” of entry into a host cell and triggering replication.

TDM is based upon the underlying fundamental principles of topological ordering within viral structures, involving the envelopes and other structures such as spikes and any protruding variations that are employed, integrally, in receptor and entry functions

TDM incorporates (augments, adds to, uses) 3D drug-design oriented molecular modeling tool(s) and specifically the ROSETTA tools which are comprehensive. There will be appropriate ways to integrate new software modules such as what will be new and unique to TDM.

These are the “representational and functional spaces” with which TDM functions:

{1} EXOBSERV space
Experimental Observation Space
The visual and mathematical space of "molecular assemblies" as produced/reduced from the experimentally observed surface of the virus (the virus as it is known to be constructed), and from the biochemical analytic experiments that identify the specific proteins, lipids and other chemicals which have thus far been identified for the virus. ← →

{2} GEOMET space
Geometrical Object Space
"Geometrical assemblies" (polytopes of many types, which for instance in SARS-CoV-2 we can see as polygons making up an envelope (membrane, shell) and spikes that are attached thereto). This is a reduction or translation from EXOBSERV into abstract geometrical objects. ← →

{3} TOPOLOG space
Topological Object Space
"Topological orderings (the manifold components, so to speak) ← →

{4} TRANSFORM space
A mapping that shows where and how specific forces applied to specific points, lines, surfaces within the TOPOLOG space can create changes in the latter which can be interpreted as defects which can be employed to change the GEOMET space in manners that suit the purposes of the bioengineering mission.

{5} MOLAGENT Selection
Selection of candidate molecular agents for use in the viral structural integrity disruption process. Identification of specific molecules from very large sets that can be prospective candidates for use as drug-agents to be applied to the virus environment. ← →

{6} MOLAGENT Confirmation
Use of the computational models of such candidate drugs (p-set) to be introduced into TDM in a process that begins with {4} and can be reflected through re-examination of {3}, {2} and {1} to demonstrate and validate, through simulation, the effective actions of the p-set members.

Moreover there are two other critical steps which are not involving TDM, before we will have one or more molecules that can be evaluated and tested as medicines to work against the virus in question.

These are:

{7} MOLAGENT Medical Validation
The molecule in question is satisfactory from the perspectives of side-effects and contraindicators. It can be used in the anatomical locations and at the chemical concentrations necessary in order to do its work with the virus.

{8} MOLAGENT Formulation
The molecule in question can be prepared in a physical formulation (e.g., gel, syrup, aerosol spray) that can be administered in a practical and sensible way for patients.

For additional information, please contact IRI directly.

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