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    PENTAMIDINE ANALOGS
    3.
    发明申请
    PENTAMIDINE ANALOGS 审中-公开

    公开(公告)号：WO2023077235A1

    公开(公告)日：2023-05-11

    申请号：PCT/CA2022/051635

    申请日：2022-11-04

    Applicant: MCMASTER UNIVERSITY ,  THE BROAD INSTITUTE INC. ,  THE GENERAL HOSPITAL CORPORATION

    Inventor： HUNG, Deborah ,  SERRANO-WU, Michael ,  LEE, Katie ,  HUBBARD, Brian ,  BROWN, Eric ,  MACNAIR, Craig ,  FARHA, Maya ,  COTE, Jean-philippe

    IPC: C07C257/18 ,  A61K31/40 ,  A61K31/155 ,  A61K31/444 ,  A61K31/445 ,  A61K31/4178 ,  A61P31/04 ,  C07D211/22 ,  C07D213/60 ,  C07D233/64 ,  C07D295/088

    Abstract: The present invention discloses novel pentamidine analogues such as pentamidine analogs having the general formula: (1a) wherein: X is C, N, or –CH-CH-, Y is Y1 when X is N, and Y is Y1 and Y2 when X is C, or –CH-CH-, Y1, or Y1 and Y2 independently, are selected from H, hydroxyl, lower alkyl, lower alkoxy, halogen, nitro, amino, cyano or thiol, wherein the lower alkyl or alkoxy is optionally substituted with one or more of hydroxyl, halogen, nitro, amino, cyano, thiol, or a 5- or 6-membered aromatic or non-aromatic ring, optionally substituted with one or more of hydroxyl, lower alkyl, lower alkoxy, halogen, nitro, amino, cyano or thiol, wherein Y1 is not H when X is N; or Y1 is a 5- or 6-membered aromatic or non-aromatic ring, optionally substituted with one or more groups selected from hydroxyl, lower alkyl, lower alkoxy, halogen, nitro, amino, cyano, carboxy, or thiol, and Y2 is H, if present; or Y1 and Y2 together with X form a 5- to 8-membered hydrocarbon ring, optionally substituted with one or more groups selected from hydroxyl, lower alkyl, lower alkoxy, halogen, nitro, amino, cyano, carboxyl, or thiol; Z is phenyl, optionally substituted with one or more groups selected from hydroxyl, lower alkyl, lower alkoxy, halogen, nitro, amino, cyano, carboxyl, or thiol; and R1 to R4 are each independently H, hydroxyl, halogen, lower alkyl or lower alkoxy; as well as related pentamidine analogs and their use to inhibit bacterial growth and treat bacterial infection.

    MACHINE LEARNING PREDICTION OF BIOLOGICAL EFFECT IN MULTICELLULAR ANIMALS FROM MICROORGANISM TRANSCRIPTIONAL FINGERPRINT PATTERNS IN NON-INHIBITORY CHEMICAL CHALLENGE
    7.
    发明申请
    MACHINE LEARNING PREDICTION OF BIOLOGICAL EFFECT IN MULTICELLULAR ANIMALS FROM MICROORGANISM TRANSCRIPTIONAL FINGERPRINT PATTERNS IN NON-INHIBITORY CHEMICAL CHALLENGE 审中-公开

    公开(公告)号：WO2022006676A1

    公开(公告)日：2022-01-13

    申请号：PCT/CA2021/050939

    申请日：2021-07-08

    Applicant: MCMASTER UNIVERSITY

    Inventor： BROWN, Eric ,  FRENCH, Shawn Adam ,  GUO, Bing Ya

    IPC: G16B40/20 ,  C12Q1/68 ,  G06N20/00 ,  G16B20/00 ,  G16B40/00

    Abstract: A machine learning model for predicting biological effect of a subject chemical is built by feeding a training dataset to a machine learning engine. The training dataset comprises known transcription fingerprint patterns in at least one microorganism species in response to challenge by known chemicals of respective known biological effects in at least one multicellular animal. The known biological effects include effects that are non-inhibitory in the microorganism species, and the dataset may comprise, for each of the known chemicals, a series of time-dependent individual transcription fingerprints in the at least one microorganism species. The model determines the predicted biological effect based on a transcription fingerprint pattern for the subject chemical in the microorganism species in response to challenge by the subject chemical; gene expression reflected in the transcription fingerprint patterns is predictive of the expected biological effect.

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