Dimethylmyricacene: An In Vitro and In Silico Study of a Semisynthetic Non-Camptothecin Derivative Compound, Targeting Human DNA Topoisomerase 1B

Human topoisomerase 1B regulates the topological state of supercoiled DNA enabling all fundamental cell processes. This enzyme, which is the unique molecular target of the natural anticancer compound camptothecin, acts by nicking one DNA strand and forming a transient protein–DNA covalent complex. The interaction of human topoisomerase 1B and dimethylmyricacene, a compound prepared semisynthetically from myricanol extracted from Myrica cerifera root bark, was investigated using enzymatic activity assays and molecular docking procedures. Dimethylmyricacene was shown to inhibit both the cleavage and the religation steps of the enzymatic reaction, and cell viability of A-253, FaDu, MCF-7, HeLa and HCT-116 tumor cell lines

Virtual target screening to rapidly identify potential protein targets of natural products in drug discovery

Inherent biological viability and diversity of natural products make them a potentially rich source for new therapeutics. However, identification of bioactive compounds with desired therapeutic effects and identification of their protein targets is a laborious, expensive process. Extracts from organism samples may show desired activity in phenotypic assays but specific bioactive compounds must be isolated through further separation methods and protein targets must be identified by more specific phenotypic and in vitro experimental assays. Still, questions remain as to whether all relevant protein targets for a compound have been identified. The desire is to understand breadth of purposing for the compound to maximize its use and intellectual property, and to avoid further development of compounds with insurmountable adverse effects. Previously we developed a Virtual Target Screening system that computationally screens one or more compounds against a collection of virtual protein structures. By scoring each compound-protein interaction, we can compare against averaged scores of synthetic drug-like compounds to determine if a particular protein would be a potential target of a compound of interest. Here we provide examples of natural products screened through our system as we assess advantages and shortcomings of our current system in regards to natural product drug discovery

Series de Chebyshev formelles

SIGLEAvailable from INIST (FR), Document Supply Service, under shelf-number : 17660, issue : a.1996 n.960-M / INIST-CNRS - Institut de l'Information Scientifique et TechniqueFRFranc

Polynomial Chebyshev splines

SIGLEAvailable from INIST (FR), Document Supply Service, under shelf-number : 17660, issue : a.1998 n.990-M / INIST-CNRS - Institut de l'Information Scientifique et TechniqueFRFranc

Image processing throught reaction combined with nonlinear diffusion

Available at INIST (FR), Document Supply Service, under shelf-number : 22495, issue : a.1992 n.78 / INIST-CNRS - Institut de l'Information Scientifique et TechniqueSIGLEFRFranc

Encore un operateur discret avec des cycles courts

SIGLEAvailable at INIST (FR), Document Supply Service, under shelf-number : 17660, issue : a.1994 n.937-I / INIST-CNRS - Institut de l'Information Scientifique et TechniqueFRFranc

Analyse numerique d'un probleme de bifurcation pose sur un domaine fissure

SIGLEAvailable at INIST (FR), Document Supply Service, under shelf-number : 22495, issue : a.1995 n.128 / INIST-CNRS - Institut de l'Information Scientifique et TechniqueFRFranc

Poincare normal form (system of ordinary differential equations)

SIGLEAvailable at INIST (FR), Document Supply Service, under shelf-number : 17660, issue : a.1991 n.839 M / INIST-CNRS - Institut de l'Information Scientifique et TechniqueFRFranc