In Silico Studies on Psilocybin Drug Derivatives Against SARS-CoV-2 and Cytokine Storm of Human Interleukin-6 Receptor

Khan, Faez Iqbal; Hassan, Fakhrul; Lai, Dakun

doi:10.3389/fimmu.2021.794780

Cited by 18 publications

(7 citation statements)

References 44 publications

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“…The protein-ligand interaction of docked complexes was presented in two dimensions for interaction analysis of the protein-ligand complex by using LigPlus ( Ahmad et al, 2022 ). The proteins, ligands, and their binding pockets for the protein’s three-dimensional structure were generated using PyMol ( Ahmad et al, 2014 ; Hassan et al, 2014 ; Baig et al, 2016 ; Khan et al, 2016 ; Khan et al, 2021 ; Khan et al, 2022a ; Khan et al, 2022b ).…”

Section: Methodsmentioning

confidence: 99%

Carvacrol instigates intrinsic and extrinsic apoptosis with abrogation of cell cycle progression in cervical cancer cells: Inhibition of Hedgehog/GLI signaling cascade

Ahmad

Tiwari²,

Al-Amrah³

et al. 2023

Front. Chem.

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Recent times have seen a strong surge in therapeutically targeting the hedgehog (HH)/GLI signaling pathway in cervical cancer. HH signaling pathway is reported to be a crucial modulator of carcinogenesis in cervical cancer and is also associated with recurrence and development of chemoresistance. Moreover, our previous reports have established that carvacrol (CAR) inhibited the proliferation of prostate cancer cells via inhibiting the Notch signaling pathway and thus, it was rational to explore its antiproliferative effects in cervical cancer cell lines. Herein, the present study aimed to investigate the anticancer and apoptotic potential of CAR on C33A cervical cancer cells and further explore the underlying mechanisms. We found that CAR significantly suppressed the growth of C33A cells, induced cell cycle arrest, and enhanced programmed cell death along with augmentation in the level of ROS, dissipated mitochondrial membrane potential, activation of caspase cascade, and eventually inhibited the HH signaling cascade. In addition, CAR treatment increased the expression of pro-apoptotic proteins (Bax, Bad, Fas-L, TRAIL, FADDR, cytochrome c) and concomitantly reduced the expression of anti-apoptotic proteins (Bcl-2 and Bcl-xL) in C33A cells. CAR mediates the activation of caspase-9 and -3 (intrinsic pathway) and caspase-8 (extrinsic pathway) accompanied by the cleavage of PARP in cervical cancer cells. Thus, CAR induced apoptosis by both the intrinsic and extrinsic apoptotic pathways. CAR efficiently inhibited the growth of cervical cancer cells via arresting the cell cycle at G0/G1 phase and modulated the gene expression of related proteins (p21, p27, cyclin D1 and CDK4). Moreover, CAR inhibited the HH/GLI signaling pathway by down regulating the expression of SMO, PTCH and GLI1 proteins in cervical carcinoma cells. With evidence of the above results, our data revealed that CAR treatment suppressed the growth of HPV−C33A cervical cancer cells and further elucidated the mechanistic insights into the functioning of CAR.

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Section: Methodsmentioning

confidence: 99%

Carvacrol instigates intrinsic and extrinsic apoptosis with abrogation of cell cycle progression in cervical cancer cells: Inhibition of Hedgehog/GLI signaling cascade

Ahmad

Tiwari²,

Al-Amrah³

et al. 2023

Front. Chem.

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“…Psilacetin, psilocin, and psilocybine, which are psilocybin-mushroom components, have been subjected to M pro SARS-CoV-2 docking studies (PDB: 6LU7) utilizing AutoDock and AutoDock vina software. They reveal considerable binding affinity in the protein active site (interaction docking scores = −6.0, −5.4, −5.8 kcal/mol for psilacetin, psilocin, and psilocybine, respectively) [ 159 ] ( Figure 25 and Figure 26 ).…”

Section: In Silico Predicted Anti-sars-cov-2 Indolesmentioning

confidence: 99%

“… 2D- and 3D-docking interactions of ( A , B ), N3 inhibitor; ( C , D ), psilacetin; ( E , F ), psilocin; and ( G , H ), psilocybine in the active pocket of M pro SARS-CoV-2 (PDB: 6LU7) [ 159 ]. …”

Section: Figures and Schemesmentioning

confidence: 99%

Indole-Based Compounds as Potential Drug Candidates for SARS-CoV-2

Girgis,

Panda,

Kariuki

et al. 2023

Molecules

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The COVID-19 pandemic has posed a significant threat to society in recent times, endangering human health, life, and economic well-being. The disease quickly spreads due to the highly infectious SARS-CoV-2 virus, which has undergone numerous mutations. Despite intense research efforts by the scientific community since its emergence in 2019, no effective therapeutics have been discovered yet. While some repurposed drugs have been used to control the global outbreak and save lives, none have proven universally effective, particularly for severely infected patients. Although the spread of the disease is generally under control, anti-SARS-CoV-2 agents are still needed to combat current and future infections. This study reviews some of the most promising repurposed drugs containing indolyl heterocycle, which is an essential scaffold of many alkaloids with diverse bio-properties in various biological fields. The study also discusses natural and synthetic indole-containing compounds with anti-SARS-CoV-2 properties and computer-aided drug design (in silico studies) for optimizing anti-SARS-CoV-2 hits/leads.

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“…The results are described in 280 articles and 101 patents that contain the term "psilocin", as well as 924 articles and 176 patents for "psilocybin", as can be found for this period in the Scifinder database. Indeed, psilocin-mushrooms containing psilocin (64), psilocybin (65), and psilacetin (66, Figure 5) have been suggested as viable chemotherapeutic agents against SARS-CoV-2 [107].…”

Section: Indolesmentioning

confidence: 99%

Structures and Biological Activities of Alkaloids Produced by Mushrooms, a Fungal Subgroup

Zorrilla

Evidente

2022

Biomolecules

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Alkaloids are a wide family of basic N-containing natural products, whose research has revealed bioactive compounds of pharmacological interest. Studies on these compounds have focused more attention on those produced by plants, although other types of organisms have also been proven to synthesize bioactive alkaloids, such as animals, marine organisms, bacteria, and fungi. This review covers the findings of the last 20 years (2002–2022) related to the isolation, structures, and biological activities of the alkaloids produced by mushrooms, a fungal subgroup, and their potential to develop drugs and agrochemicals. In some cases, the synthesis of the reviewed compounds and structure−activity relationship studies have been described.

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In Silico Studies on Psilocybin Drug Derivatives Against SARS-CoV-2 and Cytokine Storm of Human Interleukin-6 Receptor

Cited by 18 publications

References 44 publications

Carvacrol instigates intrinsic and extrinsic apoptosis with abrogation of cell cycle progression in cervical cancer cells: Inhibition of Hedgehog/GLI signaling cascade

Carvacrol instigates intrinsic and extrinsic apoptosis with abrogation of cell cycle progression in cervical cancer cells: Inhibition of Hedgehog/GLI signaling cascade

Indole-Based Compounds as Potential Drug Candidates for SARS-CoV-2

Structures and Biological Activities of Alkaloids Produced by Mushrooms, a Fungal Subgroup

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