Daniel A Norris

US Patent:

6542858, Apr 1, 2003

Filed:

May 26, 1999

Appl. No.:

09/320545

Inventors:

George M. Grass - Tahoe City CA
Glen D. Leesman - Hamilton MT
Daniel A. Norris - San Diego CA
Patrick J. Sinko - Lebanon NJ
John E. Wehrli - Mountain View CA

Assignee:

Lion Bioscience AG - Heidelberg

International Classification:

G06N 300

US Classification:

703 2, 703 11, 702 19

Abstract:

The present invention relates to a pharmacokinetic-based design and selection tool (PK tool) and methods for predicting absorption of an administered compound of interest. The methods utilize the tool, and optionally a separately operable component or subsystem thereof. The PK tool includes as computer-readable components: (1) input/output system; (2) physiologic-based simulation model of one or more segments of a mammalian system of interest having one or more physiological barriers to absorption that is based on the selected route of administration; and (3) simulation engine having a differential equation solver: The invention also provides methods for optimizing as well as enabling minimal input requirements a physiologic-based simulation model for predicting in vivo absorption, and optionally one or more additional properties, from either in vitro or in vivo data. The PK tool of the invention may be provided as a computer system, as an article of manufacture in the form of a computer-readable medium, or a computer program product and the like. Subsystems and individual components of the PK tool also can be utilized and adapted in a variety of disparate applications for predicting the fate of an administered compound.

US Patent:

6647358, Nov 11, 2003

Filed:

May 26, 1999

Appl. No.:

09/320371

Inventors:

George M. Grass - Tahoe City CA
Glen D. Leesman - Hamilton MT
Daniel A. Norris - San Diego CA
Patrick J. Sinko - Lebanon NJ
John E. Wehrli - Mountain View CA

Assignee:

Lion Bioscience AG - Heidelberg

International Classification:

G06N 300

US Classification:

703 2, 703 11, 702 19

Abstract:

The present invention relates to a pharmacokinetic-based design and selection tool (PK tool) and methods for predicting absorption of an administered compound of interest. The methods utilize the tool, and optionally a separately operable component or subsystem thereof. The PK tool includes as computer-readable components: (1) input/output system; (2) physiologic-based simulation model of one or more segments of a mammalian system of interest having one or more physiological barriers to absorption that is based on the selected route of administration; and (3) simulation engine having a differential equation solver. The invention also provides methods for optimizing as well as enabling minimal input requirements a physiologic-based simulation model for predicting in vivo absorption, and optionally one or more additional properties, from either in vitro or in vivo data. The PK tool of the invention may be provided as a computer system, as an article of manufacture in the form of a computer-readable medium, or a computer program product and the like. Subsystems and individual components of the PK tool also can be utilized and adapted in a variety of disparate applications for predicting the fate of an administered compound.

US Patent:

6996473, Feb 7, 2006

Filed:

Nov 21, 2001

Appl. No.:

09/989533

Inventors:

George M. Grass - Tahoe City CA, US
Glen D. Leesman - Hamilton MT, US
Daniel A. Norris - San Diego CA, US
Patrick J. Sinko - Lebanon NJ, US
John E. Wehrli - Mountain View CA, US

Assignee:

Lion Bioscience AG - Heidelberg

International Classification:

G06N 3/00
G06N 7/60
G06F 9/455

US Classification:

702 19, 703 2, 703 11

Abstract:

A secondary compound library produced by a method of screening a compound library or portion thereof by absorption is provided. The method includes a step (i) that screens a primary compound library or portion thereof having a plurality of test samples containing isolated compounds or isolated mixtures of compounds per test sample by generating an in vivo absorption profile for each of the test samples from initial dose data and from in vitro bioavailability data comprising permeability and solubility data for each of the test samples, wherein the absorption profile includes at least one of rate of absorption, extent of absorption, and concentration of a test sample. Step (ii) produces a secondary compound library that includes at least one compound from the primary compound library having a desired absorption profile.

US Patent:

20010041964, Nov 15, 2001

Filed:

May 26, 1999

Appl. No.:

09/320372

Inventors:

GEORGE M. GRASS - TAHOE CITY CA, US
GLEN D. LEESMAN - HAMILTON MT, US
DANIEL A. NORRIS - SAN DIEGO CA, US
PATRICK J. SINKO - LEBANON NJ, US
JOHN E. WEHRLI - MOUNTAIN VIEW CA, US

International Classification:

G01N033/48
G01N031/00
G01N015/00

US Classification:

702/019000, 702/022000, 422/068100

Abstract:

The present invention relates to a pharmacokinetic-based design and selection tool (PK tool) and methods for predicting absorption of an administered compound of interest. The methods utilize the tool, and optionally a separately operable component or subsystem thereof. The PK tool includes as computer-readable components: (1) input/output system; (2) physiologic-based simulation model of one or more segments of a mammalian system of interest having one or more physiological barriers to absorption that is based on the selected route of administration; and (3) simulation engine having a differential equation solver. The invention also provides methods for optimizing as well as enabling minimal input requirements a physiologic-based simulation model for predicting in vivo absorption, and optionally one or more additional properties, from either in vitro or in vivo data. The PK tool of the invention may be provided as a computer system, as an article of manufacture in the form of a computer-readable medium, or a computer program product and the like. Subsystems and individual components of the PK tool also can be utilized and adapted in a variety of disparate applications for predicting the fate of an administered compound. The PK tool and methods of the invention can be used to screen and design compound libraries, select and design drugs, as well as predict drug efficacy in mammals from in vitro and/or in vivo data of one or more compounds of interest. The PK tool and methods of the invention also finds use in selecting, designing, and preparing drug compounds, and multi-compound drugs and drug formulations (i.e., drug delivery system) for preparation of medicaments for use in treating mammalian disorders.

US Patent:

20020010550, Jan 24, 2002

Filed:

May 26, 1999

Appl. No.:

09/320544

Inventors:

GEORGE M. GRASS - TAHOE CITY CA, US
GLEN D. LEESMAN - HAMILTON MT, US
DANIEL A. NORRIS - SAN DIEGO CA, US
PATRICK J. SINKO - LEBANON NJ, US
JOHN E. WEHRLI - MOUNTAIN VIEW CA, US

International Classification:

G01N033/48
G01N031/00
C12M001/00
C12M003/00

US Classification:

702/019000, 702/022000, 435/283100, 435/287100

Abstract:

The present invention relates to a pharmacokinetic-based design and selection tool (PK tool) and methods for predicting absorption of an administered compound of interest. The methods utilize the tool, and optionally a separately operable component or subsystem thereof. The PK tool includes as computer-readable components: (1) input/output system; (2) physiologic-based simulation model of one or more segments of a mammalian system of interest having one or more physiological barriers to absorption that is based on the selected route of administration; and (3) simulation engine having a differential equation solver. The invention also provides methods for optimizing as well as enabling minimal input requirements a physiologic-based simulation model for predicting in vivo absorption, and optionally one or more additional properties, from either in vitro or in vivo data. The PK tool of the invention may be provided as a computer system, as an article of manufacture in the form of a computer-readable medium, or a computer program product and the like. Subsystems and individual components of the PK tool also can be utilized and adapted in a variety of disparate applications for predicting the fate of an administered compound. The PK tool and methods of the invention can be used to screen and design compound libraries, select and design drugs, as well as predict drug efficacy in mammals from in vitro and/or in vivo data of one or more compounds of interest. The PK tool and methods of the invention also finds use in selecting, designing, and preparing drug compounds, and multi-compound drugs and drug formulations (i.e., drug delivery system) for preparation of medicaments for use in treating mammalian disorders.

US Patent:

20020035459, Mar 21, 2002

Filed:

May 26, 1999

Appl. No.:

09/320270

Inventors:

GEORGE M. GRASS - TAHOE CITY CA, US
GLEN D. LEESMAN - HAMILTON MT, US
DANIEL A. NORRIS - SAN DIEGO CA, US
PATRICK J. SINKO - LEBANON NJ, US
JOHN E. WEHRLI - MOUNTIN VIEW CA, US

International Classification:

G01N033/48
A01N043/04
A01N037/18
A01N061/00

US Classification:

703/011000, 702/019000, 514/002000, 514/044000

Abstract:

The present invention relates to a pharmacokinetic-based design and selection tool (PK tool) and methods for predicting absorption of an administered compound of interest. The methods utilize the tool, and optionally a separately operable component or subsystem thereof. The PK tool includes as computer-readable components: (1) input/output system; (2) physiologic-based simulation model of one or more segments of a mammalian system of interest having one or more physiological barriers to absorption that is based on the selected route of administration; and (3) simulation engine having a differential equation solver. The invention also provides methods for optimizing as well as enabling minimal input requirements a physiologic-based simulation model for predicting in vivo absorption, and optionally one or more additional properties, from either in vitro or in vivo data. The PK tool of the invention may be provided as a computer system, as an article of manufacture in the form of a computer-readable medium, or a computer program product and the like. Subsystems and individual components of the PK tool also can be utilized and adapted in a variety of disparate applications for predicting the fate of an administered compound. The PK tool and methods of the invention can be used to screen and design compound libraries, select and design drugs, as well as predict drug efficacy in mammals from in vitro and/or in vivo data of one or more compounds of interest. The PK tool and methods of the invention also finds use in selecting, designing, and preparing drug compounds, and multi-compound drugs and drug formulations (i.e., drug delivery system) for preparation of medicaments for use in treating mammalian disorders.

US Patent:

20040009536, Jan 15, 2004

Filed:

May 30, 2003

Appl. No.:

10/332997

Inventors:

George Grass - Tahoe CA, US
Glen Leesman - Hamilton CA, US
Daniel Norris - San Diego CA, US
Patrick Sinko - Lebanon NJ, US
Jehangir Athwal - San Diego CA, US
Carleton Sage - Cardiff-by-the-Sea CA, US
Troy Bremer - Dana Point CA, US
Kevin Holme - San Diego CA, US

International Classification:

G01N033/53
G01N033/567
G06G007/48
G06G007/58
G06F019/00
G01N033/48
G01N033/50
G01N031/00

US Classification:

435/007200, 702/019000, 702/022000, 703/011000, 703/012000

Abstract:

A method for developing a predictive model of a chemical compound property. The method includes obtaining at least one descriptor from structural data for each of a plurality of compounds. At least one chemical compound property is obtained for each of the plurality of compounds. The predictive model is developed by mapping the at least one descriptor to the chemical compound property. The chemical compound property may be an ADME property. The ADME property may be absorption. The chemical compound property may also be an toxicity property.

US Patent:

20040039530, Feb 26, 2004

Filed:

May 30, 2003

Appl. No.:

10/332996

Inventors:

Glen Leesman - Hamilton MT, US
Daniel Norris - San Diego CA, US
Patrick Sinko - Lebanon NJ, US
Kevin Holme - San Diego CA, US
Tatyana Izhikevich - San Diego CA, US
Edward Lecluyse - Chapel Hill NC, US
Dhiren Thakker - Raleigh NC, US
George Grass - Tahoe City CA, US

International Classification:

G01N033/53
G01N033/567
G06F019/00
G01N033/48
G01N033/50

US Classification:

702/019000, 435/007200

Abstract:

A system for simulating metabolism of a compound in a mammal is disclosed that includes a metabolism simulation model of a mammalian liver. This model has equations which, when executed on a computer, calculate the rate of metabolism of the compound in the cells of the mammalian liver and a rate of transport of the compound into the cells, wherein the simulation model determines an amount of the metabolism product. The rate of metabolism may be a rate of depletion of the compound. The metabolism product may be an amount of the compound remaining after the compound's first passage through the mammalian liver (This is not necessarily limited to first pass, nor would it need to be limited to the liver. Intestinal metabolism could also be modeled). The rate of metabolism may alternatively be a rate of accumulation of a metabolite of the compound.