Synthesis and antiproliferative activities of novel piscidinol a derivatives as potential anticancer agents

Gaja, Swarna Kumari; Siva, Bandi; Pavuluri, Pavan Kumar; Sambyal, Shainy; Jaina, Vinod Kumar; Kumar, Harish; Andugulapati, Sai Balaji; Ramalingam, Vaikundamoorthy; Babu, K. Suresh

doi:10.1080/14786419.2022.2056889

Cited by 7 publications

(1 citation statement)

References 21 publications

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“…During the past two decades, great effort of our group has been devoted to the exploration of traditional flora and structural modification of natural product leads for finding more effective analogs with novel mechanisms of action, which resulted in a series of structurally intriguing NP derivatives with potential biological activities. 6–8 In the course of our continuous efforts on exploring traditional Indian flora, we have isolated and identified bergenin ( 5 ) as a major lead phytochemical from fruits of Mallotus philippensis which is reported to have versatile biological activities including anticancer, anti-hepatotoxic, antioxidant, anti-HIV, anti-inflammatory and neuroprotective properties. 9,10 Moreover, recent studies also have demonstrated that bergenin can induce apoptosis by regulating the AKT signaling pathway in human bladder cancer.…”

Section: Introductionmentioning

confidence: 99%

Piperazine tethered bergenin heterocyclic hybrids: design, synthesis, anticancer activity, and molecular docking studies

et al. 2022

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Section: Introductionmentioning

confidence: 99%

Piperazine tethered bergenin heterocyclic hybrids: design, synthesis, anticancer activity, and molecular docking studies

et al. 2022

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Design, synthesis and cytotoxic activity studies of alkyne linked analogues of Nimbolide

et al. 2022

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Evaluating the Anticancer Properties of Novel Piscidinol A Derivatives: Insights from DFT, Molecular Docking, and Molecular Dynamics Studies

Suha,

Tasnim,

Rahman

et al. 2024

ACS Omega

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Cancer is characterized by uncontrolled cell growth and spreading throughout the body. This study employed computational approaches to investigate 18 naturally derived anticancer piscidinol A derivatives (1−18) as potential therapeutics. By examining their interactions with 15 essential target proteins (HIF-1α, RanGAP, FOXM1, PARP2, HER2, ERα, NGF, FAS, GRP78, PRDX2, SCF complex, EGFR, Bcl-xL, ERG, and HSP70) and comparing them with established drugs such as camptothecin, docetaxel, etoposide, irinotecan, paclitaxel, and teniposide, compound 10 emerged as noteworthy. In molecular dynamics simulations, the protein with the strongest binding to the crucial 1A52 protein exceeded druglikeness criteria and displayed extraordinary stability within the enzyme's pocket over varied temperatures (300−320 K). Additionally, density functional theory was used to calculate dipole moments and molecular orbital characteristics, as well as analyze the thermodynamic stability of the putative anticancer derivatives. This finding reveals a well-defined, potentially therapeutic relationship supported by theoretical analysis, which is in good agreement with subsequent assessments of their potential in vitro cytotoxic effects of piscidinol A derivatives (6−18) against various cancer cell lines. Future in vivo and clinical studies are required to validate these findings further. Compound 10 thus emerges as an intriguing contender in the fight against cancer.

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Synthesis and antiproliferative activities of novel piscidinol a derivatives as potential anticancer agents

Cited by 7 publications

References 21 publications

Piperazine tethered bergenin heterocyclic hybrids: design, synthesis, anticancer activity, and molecular docking studies

Piperazine tethered bergenin heterocyclic hybrids: design, synthesis, anticancer activity, and molecular docking studies

Design, synthesis and cytotoxic activity studies of alkyne linked analogues of Nimbolide

Evaluating the Anticancer Properties of Novel Piscidinol A Derivatives: Insights from DFT, Molecular Docking, and Molecular Dynamics Studies

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