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  1. Article ; Online: MicroRNA Theranostics in Cancer.

    Paul, Sujay

    Current gene therapy

    2023  Volume 23, Issue 5, Page(s) 329

    MeSH term(s) Humans ; Precision Medicine ; Neoplasms/diagnosis ; Neoplasms/genetics ; Neoplasms/therapy
    Language English
    Publishing date 2023-09-20
    Publishing country United Arab Emirates
    Document type Editorial
    ZDB-ID 2146187-9
    ISSN 1875-5631 ; 1566-5232
    ISSN (online) 1875-5631
    ISSN 1566-5232
    DOI 10.2174/156652322305230808102847
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Obtaining Ligand-Free Aqueous Au-Nanoparticles Using Reversible CsPbBr

    Samanta, Subarna / Paul, Sujay / Debnath, Tushar

    Small (Weinheim an der Bergstrasse, Germany)

    2024  , Page(s) e2311712

    Abstract: Water-hexane interfacial preparation of photostable Au@ ... ...

    Abstract Water-hexane interfacial preparation of photostable Au@CsPbBr
    Language English
    Publishing date 2024-01-23
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2168935-0
    ISSN 1613-6829 ; 1613-6810
    ISSN (online) 1613-6829
    ISSN 1613-6810
    DOI 10.1002/smll.202311712
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: An in-silico scaffold- hopping approach to design novel inhibitors against gp130: A potential therapeutic application in cancer and Covid-19.

    Roy, Alankar / Paul, Ishani / Luharuka, Shreya / Ray, Sujay

    Molecular diversity

    2023  

    Abstract: An upregulation of the gp130-signalling cascade has been reported in multiple cancers, making gp130 an attractive target for the development of anticancer drugs. An inverted-funnel-like approach was utilised along with various structure-based drug ... ...

    Abstract An upregulation of the gp130-signalling cascade has been reported in multiple cancers, making gp130 an attractive target for the development of anticancer drugs. An inverted-funnel-like approach was utilised along with various structure-based drug designing strategies to discover and optimise novel potential inhibitors of gp130. The study resulted in the discovery of 2 ligands- 435 and 510, both of which exhibit a very high-binding affinity towards the gp130 D1 domain which controls cytokine recognition and interaction thus being involved in complexation. The two resulting complexes remained stable over time with the ligands maintaining a steady interaction with the target. This inference is drawn from their RMSD, R
    Language English
    Publishing date 2023-11-07
    Publishing country Netherlands
    Document type Journal Article
    ZDB-ID 1376507-3
    ISSN 1573-501X ; 1381-1991
    ISSN (online) 1573-501X
    ISSN 1381-1991
    DOI 10.1007/s11030-023-10737-0
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Molecular Design of Novel Inhibitor by Targeting IL-6Rα using Combined Pharmacophore and Experimentally Verified Plant Products with Scaffold-Hopping Techniques: A Dual Therapeutic Strategy for COVID-19 and Cancer.

    Paul, Ishani / Roy, Alankar / Ray, Sujay

    Chemistry & biodiversity

    2023  Volume 20, Issue 12, Page(s) e202300806

    Abstract: The IL-6/IL-6R/gp130 complex serves as a significant indicator of cytokine release syndrome in COVID-19 and chronic inflammation, increasing the risk of cancer. Therefore, we identified IL-6Rα as a potential target to block gp130 interaction. Notably, ... ...

    Abstract The IL-6/IL-6R/gp130 complex serves as a significant indicator of cytokine release syndrome in COVID-19 and chronic inflammation, increasing the risk of cancer. Therefore, we identified IL-6Rα as a potential target to block gp130 interaction. Notably, there has been no reception of approval for an orally available drug to serve this purpose, to date. In this study, we targeted IL-6Rα to inhibit IL-6Rα/gp130 interaction. The selection of the lead candidate L821 involved the amalgamation of three drug discovery approaches. This library was screened employing tertiary structure-based pharmacophore models followed by molecular docking models, scaffold-hopping, MM/PBSA as well as MM/GBSA analysis, and assessments of pK
    MeSH term(s) Humans ; Cytokine Receptor gp130/chemistry ; Cytokine Receptor gp130/metabolism ; Pharmacophore ; Ligands ; Molecular Docking Simulation ; COVID-19 ; SARS-CoV-2 ; Neoplasms ; Molecular Dynamics Simulation
    Chemical Substances Cytokine Receptor gp130 (133483-10-0) ; Ligands
    Language English
    Publishing date 2023-12-06
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2139001-0
    ISSN 1612-1880 ; 1612-1872
    ISSN (online) 1612-1880
    ISSN 1612-1872
    DOI 10.1002/cbdv.202300806
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Design and development of novel potential inhibitors of the human USP21 enzyme using a pharmacophore-based virtual screening technique.

    Roy, Alankar / Luharuka, Shreya / Paul, Ishani / Ray, Sujay

    Journal of molecular recognition : JMR

    2023  Volume 36, Issue 7, Page(s) e3023

    Abstract: An overexpression and increase have been observed in the concentration and activity of the ubiquitin-specific protease 21 (USP21) enzyme in many cancers, necessitating the need for the development of new inhibitor drugs against the same. The current ... ...

    Abstract An overexpression and increase have been observed in the concentration and activity of the ubiquitin-specific protease 21 (USP21) enzyme in many cancers, necessitating the need for the development of new inhibitor drugs against the same. The current study attempts to discover one such novel potential inhibitor of USP21 by the application of various bioinformatics techniques which include molecular modeling, pharmacophore mapping, pharmacophore-based virtual screening, molecular docking, and ADMET prediction followed by molecular dynamics simulations. Following this inverted funnel-like approach, we finally ended up with one ligand-ZINC02422616 which displays a very high binding affinity toward the USP21 domain. This ligand contains all the pharmacophoric features displayed by the compounds that are potential inhibitors of the USP21 domain. Moreover, it shows a favorable pharmacokinetic, pharmacodynamic, and ADMET profile, along with strong hydrophobic interaction and hydrogen bonding with the domain. Simulation studies showed that the complex remains stable over time, with the bound protein displaying a more constrained motion in the conformational space compared to the unbound form. The ligand showed a highly favorable free energy landscape/surface, forming several energy minima's in contrast to the unbound domain in which most conformations occupied a relatively higher energy state. Moreover, the ligand also displayed a K
    MeSH term(s) Humans ; Molecular Docking Simulation ; Pharmacophore ; Ligands ; Quantitative Structure-Activity Relationship ; Molecular Dynamics Simulation ; Ubiquitin Thiolesterase
    Chemical Substances Ligands ; USP21 protein, human ; Ubiquitin Thiolesterase (EC 3.4.19.12)
    Language English
    Publishing date 2023-05-07
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 1015084-5
    ISSN 1099-1352 ; 0952-3499
    ISSN (online) 1099-1352
    ISSN 0952-3499
    DOI 10.1002/jmr.3023
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: Identification and characterization of microRNAs and their targets in high-altitude stress-adaptive plant maca (Lepidium meyenii Walp).

    Paul, Sujay

    3 Biotech

    2017  Volume 7, Issue 2, Page(s) 103

    Abstract: MicroRNAs (miRNAs) are endogenous, short (~21-nucleotide), non-coding RNA molecules that play pivotal roles in plant growth, development, and stress response signaling. In this study using recently published draft genome sequence of a high-altitude plant ...

    Abstract MicroRNAs (miRNAs) are endogenous, short (~21-nucleotide), non-coding RNA molecules that play pivotal roles in plant growth, development, and stress response signaling. In this study using recently published draft genome sequence of a high-altitude plant maca (Lepidium meyenii Walp) and applying genome-wide computational-based approaches, a total of 62 potentially conserved miRNAs belonging to 28 families were identified and four (lme-miR160a, lme-miR164c, lme-miR 166a, and lme-miR 319a) of them further validated by RT-PCR. Deploying psRNATarget tool a total of 99 potential miRNA target transcripts were also identified in maca. Targets include a number of transcription factors like Squamosa promoter-binding, NAC, MYB, auxin response factor, APETALA, WRKY, and F-box protein. To the best of my knowledge, this is the first genome-based miRNA profiling of a high-altitude plant.
    Language English
    Publishing date 2017-05-30
    Publishing country Germany
    Document type Case Reports
    ZDB-ID 2600522-0
    ISSN 2190-5738 ; 2190-572X
    ISSN (online) 2190-5738
    ISSN 2190-572X
    DOI 10.1007/s13205-017-0734-5
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: The elusive roles of chloroplast microRNAs: an unexplored facet of the plant transcriptome.

    Bravo-Vázquez, Luis Alberto / Srivastava, Aashish / Bandyopadhyay, Anindya / Paul, Sujay

    Plant molecular biology

    2022  Volume 109, Issue 6, Page(s) 667–671

    MeSH term(s) Chloroplasts/genetics ; Gene Expression Regulation, Plant ; MicroRNAs/genetics ; Plants/genetics ; RNA, Plant/genetics ; Transcriptome
    Chemical Substances MicroRNAs ; RNA, Plant
    Language English
    Publishing date 2022-05-25
    Publishing country Netherlands
    Document type Letter
    ZDB-ID 778032-1
    ISSN 1573-5028 ; 0167-4412
    ISSN (online) 1573-5028
    ISSN 0167-4412
    DOI 10.1007/s11103-022-01279-4
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Psoas Abscess as a Complication of a Perinephric Abscess.

    Lai, Jonathan / Safonova, Aleksandra / Pathak, Sujay / O'Rourke, Paul

    The American journal of medicine

    2022  Volume 135, Issue 8, Page(s) e245–e247

    MeSH term(s) Abdominal Abscess/diagnostic imaging ; Abdominal Abscess/etiology ; Humans ; Kidney Diseases/etiology ; Psoas Abscess/diagnostic imaging ; Psoas Abscess/etiology ; Urinary Tract Infections/complications
    Language English
    Publishing date 2022-04-01
    Publishing country United States
    Document type Journal Article
    ZDB-ID 80015-6
    ISSN 1555-7162 ; 1873-2178 ; 0002-9343 ; 1548-2766
    ISSN (online) 1555-7162 ; 1873-2178
    ISSN 0002-9343 ; 1548-2766
    DOI 10.1016/j.amjmed.2022.02.044
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article: Freshwater Salinization Syndrome Alters Nitrogen Transport in Urban Watersheds.

    Galella, Joseph G / Kaushal, Sujay S / Mayer, Paul M / Maas, Carly M / Shatkay, Ruth R / Inamdar, Shreeram / Belt, Kenneth T

    Water

    2024  Volume 15, Issue 22, Page(s) 1–22

    Abstract: Anthropogenic salt inputs have impacted many streams in the U.S. for over a century. Urban stream salinity is often chronically elevated and punctuated by episodic salinization events, which can last hours to days after snowstorms and the application of ... ...

    Abstract Anthropogenic salt inputs have impacted many streams in the U.S. for over a century. Urban stream salinity is often chronically elevated and punctuated by episodic salinization events, which can last hours to days after snowstorms and the application of road salt. Here, we investigated the impacts of freshwater salinization on total dissolved nitrogen (TDN) and
    Language English
    Publishing date 2024-01-02
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2521238-2
    ISSN 2073-4441
    ISSN 2073-4441
    DOI 10.3390/w15223956
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Enhanced solid-state plasmon catalyzed oxidation and SERS signal in the presence of transition metal cations at the surface of gold nanostructures.

    Pal, Srimanta / Paul, Sujay / Chattopadhyay, Arun

    Physical chemistry chemical physics : PCCP

    2021  Volume 23, Issue 38, Page(s) 21808–21816

    Abstract: The effect of several metal cations ( ... ...

    Abstract The effect of several metal cations (Mn
    Language English
    Publishing date 2021-10-06
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d1cp02931b
    Database MEDical Literature Analysis and Retrieval System OnLINE

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