Browsing by Author "Jain, Shreyans K."

Now showing 1 - 6 of 6
  • Thumbnail Image
    Publication
    Evidence-Based Therapeutic Potential of Natural Seed Oil of Desert Date/Ingudi (Balanites aegyptiaca Linn. Delile) in Chronic Diabetic Wound
    (Springer, 2023) Kumar, Sanjeev; Mishra, Anurag; Dwivedi, Kamal Nayan; Singh, Neelu; Kumar, Abhishek; Bhartiya, Satyanam Kumar; Krishnamoorthi, S.; Kumar, Amit; Goel, Bharat; Jain, Shreyans K.
    This study is to clarify the things said in Ayurveda and Sanskrit literature with evidence in today's context that Balanites aegyptiaca oil (BAO) was used on humans and animals to heal wounds without any side effects. BAO was tested for its wound-healing potential on a diabetic patient. The topical application of the BAO caused wound closure that was ascertained by histopathological changes that occurred during the treatment at the site of application. The phytochemical analysis of BAO resulted in the isolation of potential marker compounds such as diosgenin, caffeic acid, stigmasterol, and fatty acids that may be contributing factors to its wound healing potential. However, underlying mechanisms need to be explored to understand the mechanism behind their wound-healing property. � 2023, The Author(s), under exclusive licence to The National Academy of Sciences, India.
  • Thumbnail Image
    Publication
    Isolation of a new cytotoxic colchinoid from Gloriosa superba roots
    (Taylor and Francis Ltd., 2023) Goel, Bharat; Reddy, Harichander; Cholkar, Anjali; Kumar, Sanjeev; Guru, Santosh Kumar; Jain, Shreyans K.
    A new colchinoid compound, identified as N-deacetyl-N-formylcornigerine (1), named glorigerine was isolated from the roots of Gloriosa superba, along with two known compounds. The structures of isolated compounds were elucidated by 1 D and 2 D NMR and HRMS experiments. Glorigerine (1) differed from cornigerine (6) by the presence of an N-formyl group instead of the N-acetyl group. Glorigerine (1) was found to have moderate cytotoxicity when tested against four human cancer cell lines. � 2022 Informa UK Limited, trading as Taylor & Francis Group.
  • Thumbnail Image
    Publication
    LCMS-DNP based dereplication of Araucaria cunninghamii Mudie gum-resin: identification of new cytotoxic labdane diterpene
    (Taylor and Francis Ltd., 2022) Sahu, Bharat; Bhardwaj, Nivedita; Chatterjee, Essha; Dey, Biswajit; Tripathi, Nancy; Goel, Bharat; Kushwaha, Manoj; Kumar, Brijesh; Singh, Bikarma; Guru, Santosh Kumar; Jain, Shreyans K.
    As a part of natural defense, plants initiate the secretion of gum containing numerous pharmacologically active essential metabolites. A fraction of such gum-resin from Araucaria cunninghamii Mudie, when screened against human cancer cell lines, was found to be active. Further, it was subjected to an LCMS-DNP (Dictionary of Natural Products) based dereplication study followed by a detailed phytochemical investigation to obtain pure metabolites. Also, the gum resin of A. cunninghamii was found to be a rich source of abietanes and labdanes. The LCMS-DNP-based dereplication study identified many known metabolites, which were isolated for the first time from this plant as well as a new labdane diterpenoid (9). The compounds were characterized via spectroscopic techniques, which were subsequently compared with the already existing literature data. The metabolites were screened against seven human cancer cell lines. The anticancer activity was further supported by molecular docking studies. � 2022 Informa UK Limited, trading as Taylor & Francis Group.
  • Thumbnail Image
    Publication
    Synthesis, in vitro Cytotoxicity Evaluation, and Docking Studies of Gloriosine Derivatives as Potential Anticancer Agents
    (John Wiley and Sons Inc, 2023) Goel, Bharat; Naik, Aliva; Tripathi, Nancy; Khan, Anjesh; Bansal, Sunil; Bansal, Shivani; Kumar Guru, Santosh; Jain, Shreyans K.
    In the present work, series of C10-amine and amide derivatives of gloriosine were synthesized and evaluated for in vitro cytotoxic activity against a panel of six human cancer cell lines (MDA-MB-231, U87, FaDu, SiHa, A549, and MCF-7) of multiple tissue origin. The synthesized compounds were characterized by 1H and 13C NMR and MS experiments. In vitro cytotoxicity study showed that most of the C10-amine derivatives demonstrated superior activity in two of the tested cell lines, namely U87 and FaDu cell lines, while C10-amide derivatives showed poor activity in all the cell lines. The C10-amine derivatives were subjected to molecular docking studies to explore their possible binding interactions with colchicine binding site of tubulin protein, and in-silico ADME profiling to study the drug-likeness. The C10-amine derivatives may be less toxic than gloriosine towards normal cells and may provide the lead for anticancer drug development. � 2023 Wiley-VCH GmbH.
  • Thumbnail Image
    Publication
    Tgf? drives metabolic perturbations during epithelial mesenchymal transition in pancreatic cancer: Tgf? induced emt in pdac
    (MDPI, 2021) Rajagopal, Meena U.; Bansal, Shivani; Kaur, Prabhjit; Jain, Shreyans K.; Altadil, Tatiana; Hinzman, Charles P.; Li, Yaoxiang; Moulton, Joanna; Singh, Baldev; Bansal, Sunil; Chauthe, Siddheshwar Kisan; Singh, Rajbir; Banerjee, Partha P.; Mapstone, Mark; Fiandaca, Massimo S.; Federoff, Howard J.; Unger, Keith; Smith, Jill P.; Cheema, Amrita K.
    Pancreatic ductal adenocarcinoma (PDAC) is a highly lethal malignancy wherein a majority of patients present metastatic disease at diagnosis. Although the role of epithelial to mesenchymal transition (EMT), mediated by transforming growth factor beta (TGF?), in imparting an aggressive phenotype to PDAC is well documented, the underlying biochemical pathway perturbations driving this behaviour have not been elucidated. We used high-resolution mass spectrometry (HRMS) based molecular phenotyping approach in order to delineate metabolic changes concomitant to TGF?-induced EMT in pancreatic cancer cells. Strikingly, we observed robust changes in amino acid and energy metabolism that may contribute to tumor invasion and metastasis. Somewhat unexpectedly, TGF? treatment resulted in an increase in intracellular levels of retinoic acid (RA) that in turn resulted in increased levels of extracellular matrix (ECM) proteins including fibronectin (FN) and collagen (COL1). These findings were further validated in plasma samples obtained from patients with resectable pancreatic cancer. Taken together, these observations provide novel insights into small molecule dysregulation that triggers a molecular cascade resulting in increased EMT-like changes in pancreatic cancer cells, a paradigm that can be potentially targeted for better clinical outcomes. � 2021 by the authors. Licensee MDPI, Basel, Switzerland.
  • Thumbnail Image
    Publication
    Virtual screening and molecular simulation study of natural products database for lead identification of novel coronavirus main protease inhibitors
    (Taylor and Francis Ltd., 2022) Tripathi, Nancy; Goel, Bharat; Bhardwaj, Nivedita; Sahu, Bharat; Kumar, Hemant; Jain, Shreyans K.
    3CL like protease (3CLpro or Mpro) is one of the main proteases of 2019-nCoV. The 3CLpro is a nonstructural protein of SARS-CoV and has an essential role in viral replication and transcription, thus, could be a potential target for anti-SARS drug development. The present study employed ligand- and structure-based approaches to identify the potent inhibitors of 2019-nCoV protease. The e-pharmacophore developed from 3CLpro-1 yielded virtual hits, that were subjected through drug likeliness and PAINS filters to remove interfering compounds. Further comprehensive docking studies, free energy calculations and ADMET studies resulted in two virtual leads- MolPort-000-410-348 and MolPort-002-530-156. The compounds MolPort-000-410-348 and MolPort-002-530-156 displayed good docking score of ?12.09 and ?13.38 Kcal/mol and free binding energy of ?63.34 � 2.03 and ?61.52 � 2.24 Kcal/mol, respectively. The compounds also exhibited satisfactory predicted ADMET profile and were subjected to molecular dynamic (MD) studies. The MD simulation produced stable complexes of these ligands with 3CLpro protein and ligand RMSD in acceptable limits. Communicated by Ramaswamy H. Sarma. � 2020 Informa UK Limited, trading as Taylor & Francis Group.