Identification of blood-based inflammatory biomarkers for the early-stage detection of acute myocardial infarction

Sarker, Md. Takim; Saha, Shuvo; Biswas, Partha; Islam, Md. Tanvir; Sheikh, Mohammad Ashik; Hasan, Mahdi; Islam, Najmul; Rabbe, Md. Mobenul Islam; Rafi, Md. Oliullah

doi:10.1007/s13721-022-00371-5

Cited by 7 publications

(5 citation statements)

References 41 publications

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“…The RMSF is essential for monitoring local protein changes because it computes the average change detected across a large number of atoms and assesses the displacement of a specific atoms in comparison to the reference structure. This numerical calculation is similar to root mean square deviation and is significant for protein characterization because it may be used to evaluate the flexibility and fluctuation of the residues throughout the simulation ( Rahman et al, 2022 , Sarker et al, 2022 ). Consequently, the RMSF values of the experimental drug candidate Compound CID-102506517 (blue), CID-6327703(orange), and the Control Drug (CID-441314) (ash) in complex with human alpha-glucosidase (PDB ID: 3WY1) were calculated in order to analyze the alteration in protein structural flexibility caused by the attachment of the selected ligand compounds to a specific residual position, as illustrated in Fig.…”

Section: Resultsmentioning

confidence: 99%

Identification of antidiabetic inhibitors from Allophylus villosus and Mycetia sinensis by targeting α-glucosidase and PPAR-γ: In-vitro, in-vivo, and computational evidence

Nur Kabidul Azam,

Biswas,

Mohaimenul Islam Tareq

et al. 2024

Saudi Pharmaceutical Journal

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Section: Resultsmentioning

confidence: 99%

Identification of antidiabetic inhibitors from Allophylus villosus and Mycetia sinensis by targeting α-glucosidase and PPAR-γ: In-vitro, in-vivo, and computational evidence

Nur Kabidul Azam,

Biswas,

Mohaimenul Islam Tareq

et al. 2024

Saudi Pharmaceutical Journal

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“…As part of the study’s pharmacokinetic components, Lipinski’s five-rule pharmacophore properties (molecular weight, rotational bond count, logP value, hydrogen bond donors and acceptors, and degree of infringement) were evaluated for all selected ligands using Lipinski’s five-rule approach (violation level) [ 72 , 73 , 74 ]. All the selected natural bioactive phytochemicals possessed better human intestinal absorption, better BBB value, AMES toxicity, no carcinogenicity, and no hepatotoxicity for both the human and mice research model, except for the selected control compound for our research study [ 75 , 76 , 77 ].…”

Section: Discussionmentioning

confidence: 99%

Study of MDM2 as Prognostic Biomarker in Brain-LGG Cancer and Bioactive Phytochemicals Inhibit the p53-MDM2 Pathway: A Computational Drug Development Approach

Biswas¹,

Bibi

Yousafi

et al. 2023

Molecules

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An evaluation of the expression and predictive significance of the MDM2 gene in brain lower-grade glioma (LGG) cancer was carried out using onco-informatics pipelines. Several transcriptome servers were used to measure the differential expression of the targeted MDM2 gene and search mutations and copy number variations. GENT2, Gene Expression Profiling Interactive Analysis, Onco-Lnc, and PrognoScan were used to figure out the survival rate of LGG cancer patients. The protein–protein interaction networks between MDM2 gene and its co-expressed genes were constructed by Gene-MANIA tool. Identified bioactive phytochemicals were evaluated through molecular docking using Schrödinger Suite Software, with the MDM2 (PDB ID: 1RV1) target. Protein–ligand interactions were observed with key residues of the macromolecular target. A molecular dynamics simulation of the novel bioactive compounds with the targeted protein was performed. Phytochemicals targeting MDM2 protein, such as Taxifolin and (-)-Epicatechin, have been shown with more highly stable results as compared to the control drug, and hence, concluded that phytochemicals with bioactive potential might be alternative therapeutic options for the management of LGG patients. Our once informatics-based designed pipeline has indicated that the MDM2 gene may have been a predictive biomarker for LGG cancer and selected phytochemicals possessed outstanding interaction results within the macromolecular target’s active site after utilizing in silico approaches. In vitro and in vivo experiments are recommended to confirm these outcomes.

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“…Another research group reported, that Acacia greggii (Fabaceae) plant contains the flavonol, fisetin, which had also been shown to produce cytotoxicity as well as cytostatic actions on something like several carcinoma cellular strains (Sak, 2014). Nevertheless, fisetin inhibits both NF‐κB cascade and MMP‐2,9 production to lessen PC3 cellular adherence, migratory, as well as metastases (Morshed et al, 2022; Sarker et al, 2022; Szliszka et al, 2011). Besides, Phenethyl‐isothiocyanate is administered internally at 12 μM/day over five times per week, it reduces the PC3 xenograft model in athymic animals (Xiao et al, 2006).…”

Section: Mechanistic Approaches Of Natural Compounds Against Prostate...mentioning

confidence: 99%

The efficacy of natural bioactive compounds against prostate cancer: Molecular targets and synergistic activities

Mia,

Dey,

Sakib

et al. 2023

Phytotherapy Research

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Globally, prostate cancer (PCa) is regarded as a challenging health issue, and the number of PCa patients continues to rise despite the availability of effective treatments in recent decades. The current therapy with chemotherapeutic drugs has been largely ineffective due to multidrug resistance and the conventional treatment has restricted drug accessibility to malignant tissues, necessitating a higher dosage resulting in increased cytotoxicity. Plant‐derived bioactive compounds have recently attracted a great deal of attention in the field of PCa treatment due to their potent effects on several molecular targets and synergistic effects with anti‐PCa drugs. This review emphasizes the molecular mechanism of phytochemicals on PCa cells, the synergistic effects of compound‐drug interactions, and stem cell targeting for PCa treatment. Some potential compounds, such as curcumin, phenethyl‐isothiocyanate, fisetin, baicalein, berberine, lutein, and many others, exert an anti‐PCa effect via inhibiting proliferation, metastasis, cell cycle progression, and normal apoptosis pathways. In addition, multiple studies have demonstrated that the isolated natural compounds: d‐limonene, paeonol, lanreotide, artesunate, and bicalutamide have potential synergistic effects. Further, a significant number of natural compounds effectively target PCa stem cells. However, further high‐quality studies are needed to firmly establish the clinical efficacy of these phytochemicals against PCa.

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Identification of blood-based inflammatory biomarkers for the early-stage detection of acute myocardial infarction

Cited by 7 publications

References 41 publications

Identification of antidiabetic inhibitors from Allophylus villosus and Mycetia sinensis by targeting α-glucosidase and PPAR-γ: In-vitro, in-vivo, and computational evidence

Identification of antidiabetic inhibitors from Allophylus villosus and Mycetia sinensis by targeting α-glucosidase and PPAR-γ: In-vitro, in-vivo, and computational evidence

Study of MDM2 as Prognostic Biomarker in Brain-LGG Cancer and Bioactive Phytochemicals Inhibit the p53-MDM2 Pathway: A Computational Drug Development Approach

The efficacy of natural bioactive compounds against prostate cancer: Molecular targets and synergistic activities

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