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Publications

Recent publications from the group

Identification of Mitoxantrone as a Potent Inhibitor of CDK7/Cyclin H via Structure-Based Virtual Screening and In-Vitro Validation by ADP-Glo Kinase Assay  

Somarowthu T, Patekar RR, Bharate SB*

Bioorg. Chem., 2025, 155, 108111

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Structure-Based Virtual Screening and Biological Characterization of Novel BACE-1 and Amyloid-β Aggregation Inhibitors

Sharma A, Nayak M, Thakur S, Jadhav HR, Bharate SB*

ChemMedChem, 2024, https://doi.org/10.1002/cmdc.202400685

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Computational Analysis of Phase I Metabolism in Clinically Studied Flavoalkaloids: Molecular Docking, MMGBSA Binding Energy Calculations, and Molecular Dynamics Simulations

Kallurkar KV, Thakur S, Jadhav HR, Bharate SB*

ChemistrySelect, 2024, 9(36), e202403696

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Synthesis and Biological Evaluation of Colchicine – Aryl/ alkyl amine Hybrids as Potential Non-cytotoxic Cholinesterase Inhibitors: Identification of SBN-284 as a Dual Inhibitor of Cholinesterases and NLRP3 Inflammasome

Reddy CN, Nuthakki VK, Sharma A, Malik S, Tabassum B, Kumar R,

Choudhary S, Iqbal F, Tufail Z, Mondhe DM, Kumar A, Bharate SB*

ACS Chem. Neurosci., 2024, 15, 2779–2794

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N-Benzyl piperidine Fragment in Drug Discovery

Sharma A, Sharma M, Bharate SB*

ChemMedChem, 2024, DOI: 10.1002/ cmdc.202400384

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Structure-Based Virtual Screening of FDA-approved Drugs to Discover Potential Inhibitors of Phosphoinositide Kinase, PIKfyve

Wadje BN, Somarowthu T, Thakur S, Jadhav HR, Bharate SB*

J. Biomol. Struct. Dyn. 2024,

https://doi.org/10.1080/07391102.2024.2437513

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Benzopyrone, A Privileged Scaffold in Drug Discovery:An Overview of FDA-Approved Drugs and Clinical Candidates

Sharma V; Sharma A; Wadje BN; Bharate SB*

Med. Res. Rev. 2024, 44 (5), 2035-2077.

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Design, synthesis, and pharmacological evaluation of indole-piperidine amides as Blood-brain barrier permeable dual cholinesterase and β-secretase inhibitors

Banoo R; Nuthakki VK; Wadje BN; Sharma A; Bharate SB*

Eur. J. Med. Chem. 2024, 266:116131

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EDITORIAL: Natural Products Driven Medicinal Chemistry

Bharate SB and Lindsley CW

J. Med. Chem. 2023, 66, 24, 16455–16456

J. Med. Chem. 2024, 67, 23, 20723–20730

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Identification of Azelastine and Carvedilol as Cholinesterase Inhibitors via Structure-Based Virtual Screening of FDA-approved Drugs

Sharma M, Thakur S, Jadhav HR, Bharate SB* 

ChemistrySelect 2023, 8 (28), e202301879

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Discovery of blood-brain barrier permeable and orally bioavailable caffeine-based amide derivatives as acetylcholinesterase inhibitors

Sharma M, Sharma A, Thakur S, Nuthakki VK, Jamwal A, Nandi U, Jadhav HR, Bharate SB* 

Bioorg. Chem. 2023, 139, 106719

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Orally Bioavailable Styryl Derivative of Rohitukine-N-oxide Inhibits CDK9/T1 and the Growth of Pancreatic Cancer cells

Bhurta D, Hossain MM, Bhardwaj M, Showket F, Nandi U, Dar MJ, Bharate SB* 

Eur. J. Med. Chem. 2023, 258, 115533

Design, Synthesis, and Pharmacological Evaluation of Embelin-Aryl/alkyl amine Hybrids as Orally Bioavailable Blood-Brain Barrier Permeable Multitargeted Agents with Therapeutic Potential in Alzheimer's Disease: Discovery of SB-1448

Nuthakki VK, Choudhary S, Reddy CN, Bhatt S, Jamwal A, Jotshi A, Raghuvanshi, R, Sharma A, Thakur S, Jadhav H, Bharate SS, Nandi U, Kumar A, Bharate SB* 

ACS Chem Neurosci. 2023, 14, 6, 1193–1219

Styryl Group, a Friend or Foe in Medicinal Chemistry

Bhurta D, Bharate SB.* 

ChemMedChem, 2022, 17, e202100706

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Recent developments in the use of kinase inhibitors in management of viral infections

Raghuvanshi R, Bharate SB.* 

J. Med. Chem., 2022, 65, 2, 893-921

Analyzing the Scaffold Diversity of Cyclin-dependent Kinase Inhibitors and Revisiting the Clinical and Preclinical Pipeline

Bhurta D, Bharate SB.* 

Med. Res. Rev., 2022, 42, 2, 654-709

Cell-intrinsic Aryl Hydrocarbon Receptor signalling is required for the resolution of injury-induced colonic stem cells

Shah K, Maradana MR, Delás MJ, Metidji A, Graelmann F, Llorian M, Chakravarty P, Li Y, Tolaini M, Shapiro M, Kelly G, Cheshire C, Bhurta D, Bharate SB, Stockinger B. 

Nature Commun. 2022, 13 (1), 1827

A Coumarin-donepezil Hybrid as a Blood-brain Barrier Permeable Dual Cholinesterase Inhibitor: Isolation, Synthetic Modifications and Biological Evaluation of Natural Coumarins

Sharma A, Nuthakki VK, Gairola S, Singh B, Bharate SB.* 

ChemMedChem, 2022, 17 (8), e202200300

Indian Institute of Chemical Technology, Hyderabad-500007, Telangana, India

sbblab2011@gmail.com

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