Sangita Dattatray Shinde

@dineshk3.wixsite.com

PhD Research Scholar
National Institute of pharmaceutical Education and Research, Ahmedabad.

Sangita Dattatray Shinde


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https://researchid.co/sangitashinde29

EDUCATION

M.S. (Pharm.), B.Pharm.

RESEARCH, TEACHING, or OTHER INTERESTS

Chemistry, Cancer Research, Organic Chemistry, Catalysis
10

Scopus Publications

199

Scholar Citations

6

Scholar h-index

4

Scholar i10-index

Scopus Publications

  • Adamantane-Quinoxalone Hybrids: Precision Chemotypes and Their Molecular Mechanisms in Acute Myeloid Leukemia
    Sangita Dattatray Shinde, Ambika Chamoli, Sai Swetha Uppalapati, Jaidev Sharma, Vibhor Kumar, Amit Mandoli, Dinesh Kumar
    Journal of Medicinal Chemistry, 2025
    Acute myeloid leukemia (AML) is an aggressive blood cancer with a poor prognosis, especially when diagnosed late. Around 10-15% of cases involve the specific chromosomal abnormality t(8;21), which drives uncontrolled myeloid cell proliferation and contributes to disease onset. Despite advances in AML research and treatment protocols, outcomes for t(8;21) AML remain stagnant, as patients receive standard, nonspecific chemotherapies. This one-size-fits-all approach targets both cancerous and healthy cells, leading to unwanted toxicity and highlighting the urgent need for targeted therapies. In this study, we present a precision chemotype based on a quinoxalone-tethered adamantane framework developed via a metal- and light-free protocol. The compound selectively inhibits t(8;21) AML cell proliferation and induces cell death by disrupting growth and metabolic pathways, as demonstrated through bioassays, RNA sequencing, and proteomic analysis. Notably, it spares other leukemic and solid cancer cells, underscoring its specificity and potential as a targeted therapy for t(8;21) AML.
  • Selective [3 + 2] C-H/C-H Alkyne Annulation via Dual (Distal) C(β, δ)-H Bond Activation Relay: A Novel Therapeutic Quinazolone-Tethered Benzofulvenes for Oral Cancer
    Dinesh Parshuram Satpute, Garvita Narang, Harshal Rohit, Jagdish Manjhi, Divita Kumar, Sangita Dattatray Shinde, Shyam Kumar Lokhande, Priyanka Patel Vatsa, Vinal Upadhyay, Shivkanya Madhavrao Bhujbal, Amit Mandoli, Dinesh Kumar
    Jacs Au, 2024
    High Resolution Image Download MS PowerPoint Slide In contrast to proximal C–H bond activations, distal C–H bond activation is fundamentally more challenging and requires distinctly specialized directing partners or techniques. In this context, we report an unprecedented dual (distal) β-C(benzylic)–H and δ-C(aryl)–H bond activation relay protocol for the chemo-, regio-, and stereoselective construction of heterocycle-tethered benzofulvenes via [3 + 2] CH/CH-alkyne annulation under palladium catalysis. The protocol overrides the more favorable [4 + 2] CH/NH annulation and does not follow the vinylic C–H bond activation pathway. Mechanistic studies provide insight into the favored cyclopalladation of key intermediates (resulting from β-C(benzylic)–H bond cleavage) through relay δ-C(aryl)–H cleavage (vs N–H cleavage) prior to reductive elimination, which is the key to desired annulation. The synthesized new chemical entities (NCEs) constitute a novel scaffold with favorable anticancer activity against oral squamous cell carcinoma (OSCC). Detailed biomolecular studies, including RNA-sequencing and analysis, indicate that these compounds ( 4e and 4w ) arrest the cell cycle at the S-phase and target multiple cancer hallmarks, such as the activation of apoptotic pathways and impairment of mitochondrial activity simultaneously, suggesting their chemotherapeutic potential for oral cancer by addressing the complexity and adaptability of cancer cells in chorus.
  • Substrate-Induced Cooperative Ionic Catalysis: Difunctionalization of Indole Derivatives Employing Dimethyl Carbonate
    Sangita Dattatray Shinde, Ashik Chhetri, Sayak Ghosh, Anusri Debnath, Pooja Joshi, Dinesh Kumar
    Journal of Organic Chemistry, 2024
    The global urge to adopt sustainable chemistry has resulted in the development of more environmentally benign strategies (EBS) that use CO2 and CO2-derived chemicals in a step-economic manner. In this context, we investigated a dual C-H methylation and (C═O)-methoxylation of indole derivatives using dimethyl carbonate (DMC) in the presence of catalytic amounts of Cs2CO3. Mechanistic insights include DMF-assisted, DMC-induced cooperative ionic catalysis, which allows DMC to act as both a nucleophilic and an electrophilic precursor, resulting in (C═O)-methoxylation and C-H methylation of N-benzylindolyl ketones.
  • Sustainable C-H Methylation Employing Dimethyl Carbonate
    Sangita Dattatray Shinde, Garvita Narang, Gargee Mahendra Mahajan, Dinesh Kumar
    Journal of Organic Chemistry, 2024
    The use of CO2 and CO2-derived chemicals offers society sustainable and biocompatible chemistry for a variety of applications, ranging from materials to medicines. In this context, dimethyl carbonate (DMC) stands out owing to its low toxicity, high biodegradability, tunable reactivity, and sustainable production. Further, the ability of DMC to act as an ambient electrophile at varied temperatures and reaction conditions in order to produce methoxycarbonylated (via BAC2) and methylated products (via BAL2) is very promising. While the methylation of hetero-H (N-, O-, and S-methylation) with DMC is established and well-reviewed, the C-H methylation reaction with DMC is limited, and there is no specific literature detailing the C-methylation reaction using DMC, creating new opportunities as well as challenges in the same domain. In this context, the present perspective focuses on the new breakthroughs, recent advances, and trends in C-H methylation reactions employing DMC. A critical analysis of the mechanistic course of reactions under each category was undertaken. We believe this timely perspective will offer an in-depth analysis of existing literature with critical remarks, which will certainly inspire fellow researchers across disciplines to understand and pursue cutting-edge research in the area of C-H methylation (alkylation) using DMC and related organic carbonates.
  • An integrative sustainability assessment of the Tsuji-Trost reaction simulating allylic amination under non-conventional (vs. conventional) conditions
    Sangita Dattatray Shinde, Gargi Nikhil Vaidya, Shyam Kumar Lokhande, Anil Shaha, Ramesh Hiralal Choudhary, Dinesh Kumar
    Green Chemistry, 2024
    The article describes sustainability aspects of the Tsuji-Trost reaction in terms of productivity (reactivity-coupled utility), side reaction assessment, and environmental impact of allylic precursors.
  • Discovery of fluorinated 2‑Styryl 4(3H)-quinazolinone as potential therapeutic hit for oral cancer
    Dinesh Parshuram Satpute, Urjita Shirwadkar, Anil Kumar Tharalla, Sangita Dattatray Shinde, Gargi Nikhil Vaidya, Swarali Joshi, Priyanka Patel Vatsa, Alok Jain, Abhishek A Singh, Rachana Garg, Amit Mandoli, Dinesh Kumar
    Bioorganic and Medicinal Chemistry, 2023
  • Computational Biology of BRCA2 in Male Breast Cancer, through Prediction of Probable nsSNPs, and Hit Identification
    Sangita Dattatray Shinde, Dinesh Parshuram Satpute, Santosh Kumar Behera, Dinesh Kumar
    ACS Omega, 2022
    Male breast cancer (MBC) is a relatively rare disease, but emerging data recommend the development of novel therapeutics considering its alarming threats. Compared to female breast cancer (FBC), MBC is reportedly associated with inferior outcomes (poor survival) owing to their late diagnosis and lack of adequate treatment. Treatment typically correlates with FBC, involving surgical removal of the breast tissue along with chemo/hormonal/radiation therapy, the tamoxifen being a standard adjuvant. Considering the distinct immunophenotypic (implying different pathogenesis and progression) differences from FBC, the identification of diagnostics, prognostics, and therapeutics for MBC is highly desirable. In this context, we have analyzed the most deleterious nsSNPs of BRCA2, a human tumor suppressor gene constituting the potential biomarker for tumors including MBC, to predict the structural changes associated with the mutants hampering the normal protein–protein and protein–ligand interactions, resulting in MBC progression. Among 27 nsSNPs confined to 21 rsIDs pertaining to MBC, the 19 nsSNPs constituting 14 rsIDs have been predicted as highly deleterious. We believe that these nsSNPs could serve as potential biomarkers for diagnostic and prognostic purposes and could be the pivotal target for MBC drug discovery. Subsequently, the study highlights the exploration of the key nsSNPs (of BRCA2 associated with the MBC) and its applications toward the identification of therapeutic hit TIP006136 following the homology modeling, virtual screening of 5284 phytochemicals retrieved from the TIPdb (a database of phytochemicals from indigenous plants in Taiwan) database, molecular docking (against native and mutant BRCA2), dynamic simulations (against native and mutant BRCA2), density functional theory (DFT), and molecular electrostatic potential. To the best of our knowledge, this is the first report to use diverse computational modules to investigate the important nsSNPs of BRCA2 related to MBC, implying that TIP006136 could be a potential hit and must be studied further (in vitro and in vivo) to establish its anticancer property and efficacy against MBC.
  • Water enabled, nickel-catalyzed highly chemoselective C-allylation of (NH)-indoles employing alcohols
    Gargi Nikhil Vaidya, Shyam Kumar Lokhande, Sangita Dattatray Shinde, Dinesh Parshuram Satpute, Garvita Narang, Dinesh Kumar
    Green Chemistry, 2022
    The ‘in-water’ nickel-catalyzed chemoselective C3-allylation of (NH)-indoles employing allylic alcohols under mild conditions is reported.
  • Organic reactions in aqueous media catalyzed by nickel
    Dinesh Parshuram Satpute, Gargi Nikhil Vaidya, Shyam Kumar Lokhande, Sangita Dattatray Shinde, Shivkanya Madhavrao Bhujbal, Deep Rohan Chatterjee, Pooja Rana, Ashwini Venkatesh, Mithilesh Nagpure, Dinesh Kumar
    Green Chemistry, 2021
    This review highlights the nickel-catalyzed organic reactions in aqueous media with special focus on the mechanistic course of catalytic reactions and their applications.
  • An insight into medicinal attributes of dithiocarbamates: Bird's eye view
    Sangita Dattatray Shinde, Akash P. Sakla, Nagula Shankaraiah
    Bioorganic Chemistry, 2020

RECENT SCHOLAR PUBLICATIONS

  • Adamantane-quinoxalone hybrids: precision chemotypes and their molecular mechanisms in acute myeloid leukemia
    SD Shinde, A Chamoli, SS Uppalapati, J Sharma, V Kumar, A Mandoli, ...
    Journal of Medicinal Chemistry 68 (7), 7693-7706 , 2025
    2025
    Citations: 8
  • Substrate-Induced Cooperative Ionic Catalysis: Difunctionalization of Indole Derivatives Employing Dimethyl Carbonate
    SD Shinde, A Chhetri, S Ghosh, A Debnath, P Joshi, D Kumar
    The Journal of Organic Chemistry 89 (21), 15995-16003 , 2024
    2024
  • Selective [3 + 2] C–H/C–H Alkyne Annulation via Dual (Distal) C (β, δ) –H Bond Activation Relay: A Novel Therapeutic Quinazolone-Tethered Benzofulvenes for Oral …
    DP Satpute, G Narang, H Rohit, J Manjhi, D Kumar, SD Shinde, ...
    JACS Au 4 (11), 4474-4487 , 2024
    2024
    Citations: 4
  • Sustainable C–H Methylation Employing Dimethyl Carbonate
    SD Shinde, G Narang, GM Mahajan, D Kumar
    The Journal of Organic Chemistry 89 (20), 14679-14694 , 2024
    2024
    Citations: 3
  • An integrative sustainability assessment of the Tsuji–Trost reaction simulating allylic amination under non-conventional (vs. conventional) conditions
    SD Shinde, GN Vaidya, SK Lokhande, A Shaha, RH Choudhary, D Kumar
    Green Chemistry 26 (7), 3791-3800 , 2024
    2024
    Citations: 4
  • Discovery of fluorinated 2‑Styryl 4 (3H)-quinazolinone as potential therapeutic hit for oral cancer
    DP Satpute, U Shirwadkar, AK Tharalla, SD Shinde, GN Vaidya, S Joshi, ...
    Bioorganic & Medicinal Chemistry 81, 117193 , 2023
    2023
    Citations: 10
  • Computational biology of BRCA2 in male breast cancer, through prediction of probable nsSNPs, and hit identification
    SD Shinde, DP Satpute, SK Behera, D Kumar
    ACS omega 7 (34), 30447-30461 , 2022
    2022
    Citations: 6
  • Water enabled, nickel-catalyzed highly chemoselective C-allylation of (NH)-indoles employing alcohols
    GN Vaidya, SK Lokhande, SD Shinde, DP Satpute, G Narang, D Kumar
    Green Chemistry 24 (12), 4921-4927 , 2022
    2022
    Citations: 15
  • Organic reactions in aqueous media catalyzed by nickel
    DP Satpute, GN Vaidya, SK Lokhande, SD Shinde, SM Bhujbal, ...
    Green Chemistry 23 (17), 6273-6300 , 2021
    2021
    Citations: 44
  • An insight into medicinal attributes of dithiocarbamates: Bird’s eye view
    SD Shinde, AP Sakla, N Shankaraiah
    Bioorganic chemistry 105, 104346 , 2020
    2020
    Citations: 105

MOST CITED SCHOLAR PUBLICATIONS

  • An insight into medicinal attributes of dithiocarbamates: Bird’s eye view
    SD Shinde, AP Sakla, N Shankaraiah
    Bioorganic chemistry 105, 104346 , 2020
    2020
    Citations: 105
  • Organic reactions in aqueous media catalyzed by nickel
    DP Satpute, GN Vaidya, SK Lokhande, SD Shinde, SM Bhujbal, ...
    Green Chemistry 23 (17), 6273-6300 , 2021
    2021
    Citations: 44
  • Water enabled, nickel-catalyzed highly chemoselective C-allylation of (NH)-indoles employing alcohols
    GN Vaidya, SK Lokhande, SD Shinde, DP Satpute, G Narang, D Kumar
    Green Chemistry 24 (12), 4921-4927 , 2022
    2022
    Citations: 15
  • Discovery of fluorinated 2‑Styryl 4 (3H)-quinazolinone as potential therapeutic hit for oral cancer
    DP Satpute, U Shirwadkar, AK Tharalla, SD Shinde, GN Vaidya, S Joshi, ...
    Bioorganic & Medicinal Chemistry 81, 117193 , 2023
    2023
    Citations: 10
  • Adamantane-quinoxalone hybrids: precision chemotypes and their molecular mechanisms in acute myeloid leukemia
    SD Shinde, A Chamoli, SS Uppalapati, J Sharma, V Kumar, A Mandoli, ...
    Journal of Medicinal Chemistry 68 (7), 7693-7706 , 2025
    2025
    Citations: 8
  • Computational biology of BRCA2 in male breast cancer, through prediction of probable nsSNPs, and hit identification
    SD Shinde, DP Satpute, SK Behera, D Kumar
    ACS omega 7 (34), 30447-30461 , 2022
    2022
    Citations: 6
  • Selective [3 + 2] C–H/C–H Alkyne Annulation via Dual (Distal) C (β, δ) –H Bond Activation Relay: A Novel Therapeutic Quinazolone-Tethered Benzofulvenes for Oral …
    DP Satpute, G Narang, H Rohit, J Manjhi, D Kumar, SD Shinde, ...
    JACS Au 4 (11), 4474-4487 , 2024
    2024
    Citations: 4
  • An integrative sustainability assessment of the Tsuji–Trost reaction simulating allylic amination under non-conventional (vs. conventional) conditions
    SD Shinde, GN Vaidya, SK Lokhande, A Shaha, RH Choudhary, D Kumar
    Green Chemistry 26 (7), 3791-3800 , 2024
    2024
    Citations: 4
  • Sustainable C–H Methylation Employing Dimethyl Carbonate
    SD Shinde, G Narang, GM Mahajan, D Kumar
    The Journal of Organic Chemistry 89 (20), 14679-14694 , 2024
    2024
    Citations: 3
  • Substrate-Induced Cooperative Ionic Catalysis: Difunctionalization of Indole Derivatives Employing Dimethyl Carbonate
    SD Shinde, A Chhetri, S Ghosh, A Debnath, P Joshi, D Kumar
    The Journal of Organic Chemistry 89 (21), 15995-16003 , 2024
    2024