Design, synthesis, and biological evaluation of tetrahydroisoquinoline based hydroxamate derivatives as HDAC 6 inhibitors for cancer therapy

Khetmalis, Yogesh Mahadu; Shree, Bakhya; Kumar, Boddupalli Venkata Siva; Schweipert, Markus; Debarnot, Cécile; Ashna, Fathima; Murugesan, Sankaranarayanan; Trinath, Jamma; Sharma, Vivek; Meyer‐Almes, Franz‐Josef; Sekhar, Kondapalli Venkata Gowri Chandra

doi:10.1016/j.molstruc.2023.134952

Cited by 8 publications

(2 citation statements)

References 53 publications

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“…The selectivity index was determined and it was observed that NFT-12 , 19 & 20 with MIC 0.78 μg mL −1 exhibited good selectivity with SI > 40 (Table 2). 31,32…”

Section: Resultsmentioning

confidence: 99%

“…The selectivity index was determined and it was observed that NFT-12, 19 & 20 with MIC 0.78 mg mL À1 exhibited good selectivity with SI 4 40 (Table 2). 31,32 Drug-inhibitor combination studies Drugs that produce similar effects are generally given in combination. Multiple drugs are used to treat TB as the combination therapy reduces the treatment duration and disease relapse.…”

Section: Cytotoxicity Evaluationmentioning

confidence: 99%

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Tetrahydroisoquinoline based 5-nitro-2-furoic acid derivatives: a promising new approach for anti-tubercular agents

Nandikolla¹,

Khetmalis²,

Guruvelli³

et al. 2023

New J. Chem.

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“…The selectivity index was determined and it was observed that NFT-12 , 19 & 20 with MIC 0.78 μg mL −1 exhibited good selectivity with SI > 40 (Table 2). 31,32…”

Section: Resultsmentioning

confidence: 99%

Section: Cytotoxicity Evaluationmentioning

confidence: 99%

Tetrahydroisoquinoline based 5-nitro-2-furoic acid derivatives: a promising new approach for anti-tubercular agents

Nandikolla¹,

Khetmalis²,

Guruvelli³

et al. 2023

New J. Chem.

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Design and Synthesis of Novel Spiro [Chromane‐2,4′‐Piperidin]‐4‐One Derivatives: Anti‐Proliferative Investigation and Molecular Docking Studies

Nakka,

Sengar,

Sai Chaitanya

et al. 2024

Asian J Org Chem

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Chemists around the globe are extensively working for remedial solutions to cancer, one of the greatest health hazards. We have synthesized twenty‐three novel spiro [chromane‐2,4'‐piperidin]‐ 4 ‐one derivatives (KBS and KMS series of analogues) as part of our ongoing research to combat this deadly disease, and confirmed their structures using 1H NMR, 13C NMR, HRMS, and FT‐IR. Furthermore, we employed single‐crystal XRD to identify the compound structures of KBS4 and KMS10. We have tested the compounds on the cell line such as MCF‐7; U87‐MG; SCC‐25; and HEK‐293T, via WST‐1 assay. Eight compounds showed IC50 values ranging 3.9 – 10 µM; against the cell line MCF‐7. The best compounds of all were KMS9 (IC50 = 3.83 µM), KMS5 (IC50 = 4.14 µM), and KBS8 (IC50 = 8.24 µM), which promoted apoptosis in MCF‐7 cells. KMS5 and KMS9 compounds showed G1 cell cycle arrest, while compound KBS8 showed G2 cell cycle arrest. Molecular docking and dynamics experiments showed how KMS5, KMS9, and KBS8 bind to the active region of the EGFR family ‐ a group of receptor tyrosine kinase (RTK) proteins (PDB ID: 7JXP, 2.16 Å).

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Density functional theory (DFT) studies in HDAC-based chemotherapeutics: Current findings, case studies and future perspectives

Khatun,

Bhagat,

Amin

et al. 2024

Computers in Biology and Medicine

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Design, synthesis, and biological evaluation of tetrahydroisoquinoline based hydroxamate derivatives as HDAC 6 inhibitors for cancer therapy

Cited by 8 publications

References 53 publications

Tetrahydroisoquinoline based 5-nitro-2-furoic acid derivatives: a promising new approach for anti-tubercular agents

Tetrahydroisoquinoline based 5-nitro-2-furoic acid derivatives: a promising new approach for anti-tubercular agents

Design and Synthesis of Novel Spiro [Chromane‐2,4′‐Piperidin]‐4‐One Derivatives: Anti‐Proliferative Investigation and Molecular Docking Studies

Density functional theory (DFT) studies in HDAC-based chemotherapeutics: Current findings, case studies and future perspectives

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