Chemical compounds with antiviral Action against dengue virus and other vivirus FLA

摘要

Claim 1: Use of Chemicals for the preparation of a Pharmaceutical composition to reduce or inhibit infection by dengue virus, where these compounds contain two functionally distinct substructures according to the formula: [c] - [A] where[A] is defined as an anchor and a Chemical substructure is able to join the path associated with the Loop of the Protein and u00f4iju00f6 defined in this Anchor, and the substructure adopts a conformation which comprises at least three of the following elements: a) Made of a donor element You Hydrogen (D1, 4)And / or (b) an element acceptor Hydrogen and / or negative charge Carrier (A1, A2, A3), and / or (c) a Hydrophobic Component (H1 - 3), and / or (d) an element and / or Donor acceptor Hydrogen (D / a) (e), and / or an element simultaneously Donor acceptor Hydrogen (D + a)And these items (a) - (e) are selected from among the elements that constitute the Model farmacoforico 3D: D1, D2, D3, D4, A1, A2, A3, D / a, H1, H2, H3 + and D, where the interatomic distances between Elements: D1, D2 D3, D4, A1, A2, A3, D / a, HL2, H1, H3 + and D to the Farma Model Coforico of this are the following: [D1] - [D2] = 2.9 + - 1a [D1] - [D3] = 4.2 + - 1a [D1] - [D4] = 17.4 + - 1a [D1] - [a1] = 3.9 + - 1a [D1] - [a2] = 7.0 + - 1a [D1] - [a3] = 10.6 + - 1a, - [[D1] D + A] = 10.2 + - 1a [D1] - [d] = 12.9 + / - 1a [D1] - [h1] = 5.1 + - 1a [D1] - [H2] = 9.3 + - 1a [D1] - [H3] = 7.2 + - 1a [D2] - [D3] = 3.0 + - 1a [D2] - [D4] = 15.5 + - 1a [D2] - [a1] = - 5.8 + 1A [D2] - [a2] = 6.0 + - 1a [D2] - [a3] = 8.4 + - 1a [D2] - [d] = 11.6 + + - 1a [D2] - [D / A] = 8.6 + 1, [D2] - [h1] = - 5.0 + 1A [D2] - [H2] = 8.0 + - 1a [D2] - [H3] = 5.2 + - 1a [D3] - [D4] = 14.8 + - 1a [D3] - [A1 7.1 +] = - 1a [D3] - [a2] = 3.4 + - 1a [D3] - [a3] = 7.0 + - 1a [D3] - [d] = 10.5 + + - 1a [D3] - [d] = 6.0 + / - 1a [D3] - [h1] = 4.4 + - 1a [D3] - [H2] = 6.0 + - 1a [D3] - [H3] = 3.2 + - 1a [D4] - [A1 -] = 17.3 + - 1a [D4] - [a2] = + - 16.0 - 1a [D4] - [a3] = 9.0 + - 1a [D4] - [d] + to + 1 = 5.2, [D4] - [d] = 8.3 + / - 1a [D4] - [h1] = 13.0 + / - 1a [D4] - [H2] = 9.7 + / - 1a [D4] - [H3] = 12.4 + - 1a, [a1] - [a2] = 10.0 + - 1a, [a1] - [a3] = 12.4 + - 1a, [a1] - [d] = + + 12.7 - 1a, [a1] [- D / A] = 12.8 + - 1a, [a1] - [h1] = 5.1 + - 1a, [a1] - [H2] = 10.4 + - 1a, [a1] - [H3] = 9.6 + / - 1a, - [a2] - [a3] = 7.3 + - 1a, - [a2] - [d] = 11.8 + + - 1a, - [a2] - [d] = 4.0 + / - 1a, - [a2] - [h1] = 7.1 + - 1a, - [a2] - [H2] = 6.6 + - 1a, - [a2] - [H3] = 3.9 + - 1a [a3] - [d] = + 6.5 + - 1a [a3] - [d] = 4.9 + / - [1A. A3] - [H1] = 7.7 + - 1a [a3] - [H2] = 3.7 + - 1a [a3] - [H3] = 3.9 + - 1a, D [+] - [d] = 10.0 + / - 1a, D [+] - [h1] = 8.1 - 1a + +, [d] - [H2] = 5.3 + - 1a, D [+] - [H3] = 8.5 + / - 1a, [d] - [h1] = 8.5 + / - 1a [d A] - [H2] = 5.2 + / - 1a, [d] - [H3] = 3.8 + - 1a [h1] - [H2] = 5.3 + - 1a [h1] - [H3] = 5.5 + - 1a [H2] - [H3] = 3.9 + 1, D1, D2,D3 and D4 each correspond to an Atom or group of Atoms of hydrogen donors; A1 - and A2 - each correspond to an Atom or group of Atoms characterized as Acceptors of hydrogen and / or Carriers of negative charge; D / a is an Atom or group of Atoms acce Pray and / or Hydrogen donors; A3 corresponds to an Atom or group of Atoms Bridge acceptorHydrogen; H1, H2,H3 corresponds each with an Atom or group of Atoms not polar; D + a is an Atom or group of Atoms simultaneously donors and Acceptors of hydrogen Bonds; [c] defined as head corresponds to a Chemical substructure substructure covalently attached to the anchor [] and the substructure provides or facilitates the ability of molecules to inhibit in thisFeccion dengue virus affecting or Modulating one or more intermolecular interactions involving Protein E. claim 19: method to design chemical compounds that reduce or inhibit infection of Dengue Virus using the Model described in the reivindic farmacoforico Action 1.