The analysis of structure-anticancer and antiviral activity relationships for macrocyclic pyridinophanes and their analogues on the basis of 4D QSAR models [simplex representation of molecular structure]

• Autorzy: Kuz'min V. E. , Artemenko A.G. , Lozitsky V.P. , Muratov E.N. , Fedtchouk A.S. , Dyachenko N.S. , Nosach L.N. , Gridina T.L. , Shitikova L.I. , Mudrik L.M. , Mescheriakov A.K. , Chelombitko V.A. , Zheltvay A.I. , Vanden Eynde J.J.
• Języki publikacji: EN

Abstrakty

EN

A new 4D-QSAR approach has been considered. For all investigated molecules the 3D structural models have been created and the set of conformers (fourth dimension) have been used. Each conformer is represented as a system of different simplexes (tetratomic fragments of fixed structure, chirality and symmetry). The investigation of influence of molecular structure of macrocyclic pyridino- phanes, their analogues and certain other compounds on anticancer and antiviral (anti-influenza, antiherpes and antiadenovirus) activity has been carried out by means of the 4D-QSAR. Statistic characteristics for QSAR of PLS (partial least squares) models are satisfactory (R = 0.92-0.97; CVR = 0.63-0.83).

Słowa kluczowe

EN

chorioallantoic membrane; synthetic nucleoside; herpes simplex virus type 1; anticancer activity; macrocyclic pyridinophane; antiviral activity; central nervous system

• Wydawca: -
• Czasopismo: Acta Biochimica Polonica
• Rocznik: 2002
• Tom: 49
• Numer: 1
• Opis fizyczny: p.157-168,fig.

Twórcy

autor

Kuz'min V. E.

• I.I.Mechnikov Odessa National University, Odessa, Ukraine

autor

Artemenko A.G.

autor

Lozitsky V.P.

autor

Muratov E.N.

autor

Fedtchouk A.S.

autor

Dyachenko N.S.

autor

Nosach L.N.

autor

Gridina T.L.

autor

Shitikova L.I.

autor

Mudrik L.M.

autor

Mescheriakov A.K.

autor

Chelombitko V.A.

autor

Zheltvay A.I.

autor

Vanden Eynde J.J.

Bibliografia

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