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Drug-Target Pairs: R2 1

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Drug-target pairs: R2 1 2578 Target 3170 DB04124 2586 Target 4909 DB03014 2594 Target 2745 DB04281 EFTU2 THET8 Aurodox P72322 RHORU Heme PYRD RAT 2-[4-(4-Chlo rophen.. Elongation factor CooA protein Dihydroorotate Tu-B dehydrogenase, mitochondrial precursor 2579 Target 4911 DB03014 2587 Target 4941 DB03014 2595 Target 424 DB01117 Q43758 SOYBN Heme CATB PSESY Heme PYRD HUMAN Atovaquone Approved Ascorbate peroxi- Catalase Dihydroorotate dase dehydrogenase, mitochondrial precursor 2580 Target 2250 DB02920 2588 Target 4937 DB03014 2596 Target 424 DB04583 CCPR YEAST Zn(Ii)-(20-O Q9F3S9 RHOMR Heme PYRD HUMAN 5-(AMINOCARB xo-Pro.. ONYL)-.. Cytochrome Cytochrome Dihydroorotate c peroxidase, oxidase subunit II dehydrogenase, mitochondrial mitochondrial precursor precursor 2581 Target 2250 DB03418 2589 Target 2391 DB02188 2597 Target 4912 DB03014 CCPR YEAST Diacetyldeut HEMH BACSU N-Methylmeso FRD2 SHEFN Heme erohem.. porphy.. Cytochrome Ferrochelatase Fumarate reduc- c peroxidase, tase flavoprotein mitochondrial subunit precursor 2582 Target 2250 DB02577 2590 Target 2391 DB01911 2598 Target 3673 DB03014 CCPR YEAST Mesoheme HEMH BACSU N-Methylmeso FRDA SHEFR Heme porphy.. Cytochrome Ferrochelatase Fumarate reduc- c peroxidase, tase flavoprotein mitochondrial subunit precursor 2583 Target 2250 DB03014 2591 Target 5000 DB03014 2599 Target 2709 DB03014 CCPR YEAST Heme Q9RGD9 NEIME Heme FRDA SHEON Heme Cytochrome HemO Fumarate reduc- c peroxidase, tase flavoprotein mitochondrial subunit precursor precursor 2584 Target 2250 DB04384 2592 Target 4379 DB02914 2600 Target 2617 DB03014 CCPR YEAST Fe-Mesopone Q26490 SPOFR (6e)-6-[(2e, NOSO BACSU Heme 4e,6e).. Cytochrome Retinol dehy- Nitric oxide syn- c peroxidase, dratase thase oxygenase mitochondrial precursor 2585 Target 3102 DB03014 2593 Target 4379 DB02699 2601 Target 2701 DB03014 HMP RALEH Heme Q26490 SPOFR 4-Oxoretinol NOSO STAAW Heme Flavohemoprotein Retinol dehy- Nitric oxide syn- dratase thase oxygenase Drug-target pairs: R2 2 2602 Target 4988 DB03014 2610 Target 3411 DB03014 2618 Target 358 DB03014 SUOX HUMAN Heme CP121 MYCTU Heme CBS HUMAN Heme Sulfite oxidase, Cytochrome P450 Cystathionine mitochondrial 121 beta-synthase 2603 Target 4929 DB03014 2611 Target 4960 DB03014 2619 Target 3202 DB03903 SUOX CHICK Heme Q9L142 STRCO Heme ACTS RAT Tmr Sulfite oxidase Putative cy- Actin, alpha skele- tochrome tal muscle P450-family protein 2604 Target 4983 DB03014 2612 Target 2915 DB03014 2620 Target 5724 DB04783 Q8LNY5 TOBAC Heme FIXL BRAJA Heme ACTS RABIT Sphinxolide B.. Stromal ascorbate Sensor protein Actin, alpha skele- peroxidase fixL tal muscle 2605 Target 4608 DB03014 2613 Target 4944 DB03014 2621 Target 5724 DB04774 Q9FCA6 STRCO Heme FIXL RHIME Heme ACTS RABIT Reidispongio lide A.. Putative cy- Sensor protein Actin, alpha skele- tochrome P450 fixL tal muscle 2606 Target 2972 DB03014 2614 Target 4926 DB03014 2622 Target 5724 DB04775 CPXJ SACER Heme HEMAT BACSU Heme ACTS RABIT Reidispongio lide C.. 6- Heme-based aero- Actin, alpha skele- deoxyerythronolide tactic transducer tal muscle B hydroxylase hemAT 2607 Target 4963 DB03014 2615 Target 2159 DB00266 2623 Target 5724 DB04629 Q9KZR7 STRCO Heme QOR HUMAN Dicumarol ACTS RABIT Aplyronine A Approved Putative cy- Quinone oxidore- Actin, alpha skele- tochrome P450 ductase tal muscle 2608 Target 4999 DB03014 2616 Target 358 DB00114 2624 Target 3202 DB02621 C5B3 AMYOR Heme CBS HUMAN Pyridoxal Ph ACTS RAT 4-(17-Hydrox osphat.. y-5,12.. Approved Cytochrome P450 Cystathionine Actin, alpha skele- 165B3 beta-synthase tal muscle 2609 Target 4764 DB03014 2617 Target 358 DB00165 2625 Target 2328 DB03759 C5C4 AMYOR Heme CBS HUMAN Pyridoxine GRIA2 RAT Dnqx Approved Cytochrome P450 Cystathionine Glutamate recep- 165C4 beta-synthase tor 2 precursor Drug-target pairs: R2 3 2626 Target 2328 DB04152 2634 Target 3722 DB02033 2642 Target 762 DB00270 GRIA2 RAT 2-Amino-3-(3 POL HV1B1 N-(3-Cyclopr CAC2D HUMAN Isradipine -Hydro.. opyl(5.. Approved Glutamate recep- Gag-Pol polypro- Voltage- tor 2 precursor tein dependent calcium chan- nel subunit alpha-2/delta-1 2627 Target 4762 DB04297 2635 Target 2427 DB04220 2643 Target 4148 DB06287 O67135 AQUAE 7-[4-(Dimeth FHUA ECOLI Rifamycin Cg FRAP HUMAN Temsirolimus ylamin.. p 4832.. Approved Acetoin utiliza- Ferrichrome-iron FKBP12- tion protein receptor precursor rapamycin complex- associated protein 2628 Target 2921 DB04297 2636 Target 3279 DB02424 2644 Target 4148 DB01590 HDAC8 HUMAN 7-[4-(Dimeth HSP82 YEAST Geldanamycin FRAP HUMAN Everolimus ylamin.. Approved Histone deacety- ATP-dependent FKBP12- lase 8 molecular rapamycin chaperone HSP82 complex- associated protein 2629 Target 339 DB01188 2637 Target 1939 DB02424 2645 Target 226 DB01406 LOX15 HUMAN Ciclopirox HS90A HUMAN Geldanamycin GNRHR HUMAN Danazol Approved Approved Arachidonate 15- Heat shock pro- Gonadotropin- lipoxygenase tein HSP 90-alpha releasing hormone receptor 2630 Target 20 DB01188 2638 Target 2614 DB03080 2646 Target 2818 DB02124 PGH1 HUMAN Ciclopirox HS90A PIG 17-Dmag PHZF PSEFL (2s,3s)-Tran s-2,3-.. Approved Prostaglandin Heat shock pro- Phenazine biosyn- G/H synthase 1 tein HSP 90-alpha thesis protein precursor phzF 2631 Target 290 DB01188 2639 Target 3276 DB02852 2647 Target 2787 DB02133 PGH2 HUMAN Ciclopirox GRIK2 RAT Domoic Acid CB22 PEA Chlorophyll A.. Approved Prostaglandin Glutamate recep- Chlorophyll a-b G/H synthase 2 tor, ionotropic binding protein precursor kainate 2 AB80, chloroplast precursor precursor 2632 Target 2404 DB04769 2640 Target 136 DB01406 2648 Target 127 DB02133 PK3CG HUMAN 5-QUINOXALIN ESR1 HUMAN Danazol CB2A SPIOL Chlorophyll -6-YLM.. A.. Approved Phosphatidylinositol- Estrogen receptor Chlorophyll a-b 4,5-bisphosphate binding protein, 3-kinase catalytic chloroplast subunit gamma precursor isoform 2633 Target 3307 DB03825 2641 Target 478 DB00270 2649 Target 127 DB00137 ACRB ECOLI Rhodamine 6g CAC1C HUMAN Isradipine CB2A SPIOL Xanthophyll Approved Approved Acriflavine resis- Voltage- Chlorophyll a-b tance protein B dependent binding protein, L-type calcium chloroplast channel subunit precursor alpha-1C Drug-target pairs: R2 4 2650 Target 127 DB03460 2658 Target 4940 DB03014 2666 Target 3229 DB03014 CB2A SPIOL Violaxanthin CATA YEAST Heme CAT1 NEUCR Heme Chlorophyll a-b Peroxisomal cata- Catalase-1 binding protein, lase A chloroplast precursor 2651 Target 2882 DB02864 2659 Target 4919 DB03014 2667 Target 518 DB03014 ICYA MANSE Biliverdin I CATA BOVIN Heme CATA MYCTU Heme x Gamm.. Insecticyanin A Catalase Peroxidase/catalase form T 2652 Target 4982 DB03014 2660 Target 2230 DB03014 2668 Target 4920 DB03014 HO2 SYNY3 Heme CATA HUMAN Heme Q939D2 BURPS Heme Heme oxygenase 2 Catalase Peroxidase/catalase 2653 Target 3391 DB03014 2661 Target 3625 DB03014 2669 Target 4957 DB03014 HO1 SYNY3 Heme CATA PROMI Heme CATA HALMA Heme Heme oxygenase 1 Catalase Peroxidase/catalase 2654 Target 4989 DB03014 2662 Target 4539 DB03014 2670 Target 2732 DB03014 CCPR NITEU Heme CATA HELPY Heme HMOX1 RAT Heme Cytochrome c551 Catalase Heme oxygenase 1 peroxidase 2655 Target 4992 DB03014 2663 Target 2763 DB03014 2671 Target 2732 DB02073 P83787 MARHY Heme CDH PHACH Heme HMOX1 RAT Biliverdine Ix Alp.. Cytochrome c per- Cellobiose de- Heme oxygenase 1 oxidase hydrogenase precursor 2656 Target 4952 DB03014 2664 Target 4973 DB03014 2672 Target 810 DB02073 Q834P5 ENTFA Heme AOSL PLEHO Heme HMOX1 HUMAN Biliverdine Ix Alp.. Catalase/peroxidase Allene oxide Heme oxygenase 1 synthase- lipoxygenase protein 2657 Target 3249 DB03014 2665 Target 3093 DB03014 2673 Target 810 DB03906 CATA MICLU Heme CATE ECOLI Heme HMOX1 HUMAN 2-Phenylheme Catalase Catalase HPII Heme oxygenase 1 Drug-target pairs: R2 5 2674 Target 810 DB02468 2682 Target 756 DB00783 2690 Target 2687 DB02199 HMOX1 HUMAN 12-Phenylhem SHBG HUMAN Estradiol NP4 RHOPR 1,3-Dedimeth e.. yl-1,3.. Approved Heme oxygenase 1 Sex hormone- Nitrophorin-4 pre- binding globulin cursor precursor 2675 Target 810 DB03014 2683 Target 756 DB01406 2691 Target 2603 DB02863 HMOX1 HUMAN Heme SHBG HUMAN Danazol BLA2 BACCE Alpha Chloro phyll .. Approved Heme oxygenase 1 Sex hormone- Beta-lactamase II binding globulin precursor precursor 2676 Target 4976 DB03014 2684 Target 345 DB00162 2692 Target 4978 DB03014 CYF PHOLA Heme RETBP HUMAN Vitamin A O76745 CIMLE Heme Approved Apocytochrome f Plasma retinol- Salivary ni- binding protein trophorin precursor 2677 Target 4932 DB03014 2685 Target 2594 DB01770 2693 Target 3374 DB03014 CYF CHLRE Heme RETBP BOVIN All-Trans Ax CPXW SULSO Heme eropht.. Apocytochrome f Plasma retinol- Cytochrome P450 binding protein 119 2678 Target 2661 DB03001 2686 Target 2594 DB03922 2694 Target 4969 DB03014 PCP1 AMPCA Peridinin RETBP BOVIN N-(4-Hydroxy HMP ECOLI Heme phenyl.. Peridinin- Plasma retinol- Flavohemoprotein chlorophyll binding protein a-binding protein 1, chloroplast precursor 2679 Target 2661 DB02133 2687 Target 2594 DB03917 2695 Target 4972 DB03014 PCP1 AMPCA Chlorophyll RETBP BOVIN N-Ethyl Reti Q8VQF6 CITBR Heme A.. namide.. Peridinin- Plasma retinol- P450cin chlorophyll binding protein a-binding protein 1, chloroplast precursor 2680 Target 756 DB00648 2688 Target 4962 DB03014 2696 Target 4289 DB03014 SHBG HUMAN Mitotane NP2 RHOPR Heme Q746J6 THET2 Heme Approved Sex hormone- Nitrophorin-2 Cytochrome P450 binding globulin precursor 2681 Target 756 DB00655 2689 Target 2687 DB03014 2697 Target 4987 DB03014 SHBG HUMAN Estrone NP4 RHOPR Heme HEMO RABIT Heme Approved Sex hormone- Nitrophorin-4 pre- Hemopexin binding globulin cursor precursor Drug-target pairs: R2 6 2698 Target 4970 DB03014 2706
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  • Study of the Role of the Adaptor Protein Myd88 in the Iron-Sensing Pathway

    Study of the Role of the Adaptor Protein Myd88 in the Iron-Sensing Pathway

    Université de Montréal Study of the role of the adaptor protein MyD88 in the iron-sensing pathway and of the effect of curcumin in the development of anemia in a DSS-induced colitis mouse model By Macha Samba Mondonga Department of Microbiology and Immunology Faculty of Medicine Thesis presented to the Faculty of Graduate Studies in partial fulfillment of the Ph.D. degree in Microbiology, Immunology and Infectious Diseases 30 Aout 2018 © Macha Samba Mondonga, 2018 Université de Montréal Cette thése est intitulée: Study of the role of the adaptor protein MyD88 in the iron-sensing pathway and of the effect of curcumin in the development of anemia in a DSS-induced colitis mouse model Par Macha Samba Mondonga Department of Microbiology and Immunology Faculty of Medicine 30 Aout 2018 © Macha Samba Mondonga, 2018 RÉSUMÉ Étude du rôle de la protéine adaptatrice MyD88 dans la voie de détection du fer et de l’effet de la curcumine dans le développement de l'anémie dans un modèle murin de colite induite par le DSS L'hepcidine est l'hormone peptidique essentielle pour la régulation systémique de l'homéostasie du fer, en déclenchant la dégradation de la ferroportine et en évitant le développement d'une surcharge ou d'une carence en fer. L'expression de l'ARNm de l'hepcidine HAMP est contrôlée par deux voies principales, la voix de signalisation inflammatoire et la voie de détection en fer, BMP/SMAD4. Il a été rapporté que MyD88, la protéine adaptatrice impliquée dans l'activation des cytokines via la stimulation des récepteurs toll-like (TLRs), contribue à l'expression de l'hepcidine dans la voie inflammatoire.
  • Data-Driven Insights Into Ligands, Proteins, and Genetic Mutations

    Data-Driven Insights Into Ligands, Proteins, and Genetic Mutations

    Data-Driven Insights into Ligands, Proteins, and Genetic Mutations by Jing Lu A dissertation submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy (Bioinformatics) in the University of Michigan 2016 Doctoral Committee: Professor Heather A. Carlson, Chair Professor Charles L. Brooks III Assistant Professor Barry Grant Professor David S. Sept Professor Kerby A. Shedden © Jing Lu, 2016 Acknowledgements I would like to thank my advisor, Dr. Heather Carlson, for years of patient guidance, teaching, and support through the course of my PhD. I have learnt how to think critically and be rigorous in every step of research. I also want to express gratitude to my committee: Professor Charles L. Brooks III, Assistant Professor Barry Grant, Professor David S. Sept, Professor Kerby A. Shedden. Their advising is insightful and deepens my understanding of my research projects. I would like to thank Dr. Richard Smith for timely support for both my writing and research. For many Saturdays and Sundays, he promptly responds my requests for proofreading. Much of my work is built on his code in protein and ligand analysis. I would like to thank other members in Dr. Carlson’s lab for helping me with my work. Through the discussion with Dr. Jim Dunbar, I have learnt many critical ideas in Cheminformatics. Also, thank you to Sarah Graham and Jordan Clark for their tremendous friendship and willing to help with my writing. I would also thank previous members in Dr. Carlson’s lab. I would thank Dr. Phani Ghanakota for many late-night discussions and Dr.