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  1. AU="Muthu, Santhosh Kumar"
  2. AU="Tysinger, Emma"
  3. AU=Covarrubias David
  4. AU="Dino Papeš"
  5. AU="Assis, Daniel Barbosa"
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  1. Article ; Online: Network-based drug repositioning of linagliptin as a potential agent for uterine fibroids targeting transforming growth factor-beta mediated fibrosis.

    Bhat, Anusha Shreenidhi / Chakkittukandiyil, Amritha / Muthu, Santhosh Kumar / Kotha, Satvik / Muruganandham, Sudharsan / Rajagopal, Kalirajan / Jayaram, Saravanan / Kothandan, Ram / Selvaraj, Divakar

    Biochemical and biophysical research communications

    2024  Volume 703, Page(s) 149611

    Abstract: Uterine fibroid is the most common non-cancerous tumor with no satisfactory options for long-term pharmacological treatment. Fibroblast activation protein-α (FAP) is one of the critical enzymes that enhances the fibrosis in uterine fibroids. Through ... ...

    Abstract Uterine fibroid is the most common non-cancerous tumor with no satisfactory options for long-term pharmacological treatment. Fibroblast activation protein-α (FAP) is one of the critical enzymes that enhances the fibrosis in uterine fibroids. Through STITCH database mining, we found that dipeptidyl peptidase-4 inhibitors (DPP4i) have the potential to inhibit the activity of FAP. Both DPP4 and FAP belong to the dipeptidyl peptidase family and share a similar catalytic domain. Hence, ligands which have a binding affinity with DPP4 could also bind with FAP. Among the DPP4i, linagliptin exhibited the highest binding affinity (Dock score = -8.562 kcal/mol) with FAP. Our study uncovered that the differences in the S
    MeSH term(s) Rats ; Animals ; Female ; Linagliptin/pharmacology ; Linagliptin/therapeutic use ; Transforming Growth Factor beta ; Dipeptidyl Peptidase 4/metabolism ; Drug Repositioning ; Dipeptidyl-Peptidase IV Inhibitors/pharmacology ; Dipeptidyl-Peptidase IV Inhibitors/therapeutic use ; Fibrosis ; Leiomyoma/drug therapy ; Collagen ; Transforming Growth Factors
    Chemical Substances Linagliptin (3X29ZEJ4R2) ; Transforming Growth Factor beta ; Dipeptidyl Peptidase 4 (EC 3.4.14.5) ; Dipeptidyl-Peptidase IV Inhibitors ; Collagen (9007-34-5) ; Transforming Growth Factors (76057-06-2)
    Language English
    Publishing date 2024-02-08
    Publishing country United States
    Document type Journal Article
    ZDB-ID 205723-2
    ISSN 1090-2104 ; 0006-291X ; 0006-291X
    ISSN (online) 1090-2104 ; 0006-291X
    ISSN 0006-291X
    DOI 10.1016/j.bbrc.2024.149611
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    Zs.A 116: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

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  2. Article ; Online: Side effects based network construction and drug repositioning of ropinirole as a potential molecule for Alzheimer's disease: an

    Chakkittukandiyil, Amritha / Chakraborty, Saurav / Kothandan, Ram / Rymbai, Emdormi / Muthu, Santhosh Kumar / Vasu, Soumya / Sajini, Deepak Vasudevan / Sugumar, Deepa / Mohammad, Zubair Baba / Jayaram, Saravanan / Rajagopal, Kalirajan / Ramachandran, Vadivelan / Selvaraj, Divakar

    Journal of biomolecular structure & dynamics

    2023  , Page(s) 1–15

    Abstract: Alzheimer's disease (AD) is the leading cause of dementia in older adults. Drug repositioning is a process of finding new therapeutic applications for existing drugs. One of the methods in drug repositioning is to use the side-effect profile of a drug to ...

    Abstract Alzheimer's disease (AD) is the leading cause of dementia in older adults. Drug repositioning is a process of finding new therapeutic applications for existing drugs. One of the methods in drug repositioning is to use the side-effect profile of a drug to identify a new therapeutic indication. The drugs with similar side-effects may act on similar biological targets and could affect the same biochemical process. In this study, we explored the Food and Drug Administration-approved drugs using PROMISCUOUS database to find those that have adverse effects profile comparable with the ligands being studied or used to treat AD. Here, we found that the ropinirole, a dopamine receptor agonist, shared a maximum number of side-effects with the drugs proven beneficial for treating AD. Furthermore, molecular modelling demonstrated that ropinirole exhibited strong binding affinity (-9.313 kcal/mol) and best ligand efficiency (0.49) with sigma-1 receptor. Here, we observed that the quaternary amino group of ropinirole is essential for binding with sigma-1 receptor. Molecular dynamic simulation indicated that the movement of the carboxy-terminal helices (α4/α5) could play a major role in the receptor's physiological functions. The neurotoxicity induced by Aβ
    Language English
    Publishing date 2023-09-18
    Publishing country England
    Document type Journal Article
    ZDB-ID 49157-3
    ISSN 1538-0254 ; 0739-1102
    ISSN (online) 1538-0254
    ISSN 0739-1102
    DOI 10.1080/07391102.2023.2258968
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 2093: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

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