Incubating Green Synthesized Iron Oxide Nanorods for Proteomics-Derived Motif Exploration: A Fusion to Deep Learning Oncogenesis

Manzoor, Yasmeen; Hasan, Murtaza; Zafar, Ayesha; Dilshad, Momina; Ahmed, Muhammad Mahmood; Tariq, Tuba; Hassan, Shahzad Gul; Hassan, Shahbaz Gul; Shaheen, Aqeela; Caprioli, Giovanni; Shu, Xugang

doi:10.1021/acsomega.2c05948

Cited by 9 publications

(7 citation statements)

References 72 publications

(135 reference statements)

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“…In this work, the elevation in antioxidant enzymes was observed in the following sequence: 1500 μg/kg of bw >1000 μg/kg of bw >500 μg/kg. This work is considered to be the most relevant and in confirmation with previous reports. , …”

Section: Resultssupporting

confidence: 89%

Designing a Silymarin Nanopercolating System Using CME@ZIF-8: An Approach to Hepatic Injuries

Yu,

Saif,

Hasan

et al. 2023

ACS Omega

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It is commonly known that silymarin, a phytoconstituent obtained from the Silybum marianum plant, has hepatoprotective and antioxidative properties. However, its low oral bioavailability and poor water solubility negatively impact its therapeutic efficacy. The goal of the present study was to determine the efficiency of the Cordia myxa extract-based synthesized zeolitic imidazole metal–organic framework (CME@ZIF-8 MOF) for increasing silymarin’s bioavailability. A coprecipitation technique was used to synthesize the CME@ZIF-8 and polyethylene glycol-coated silymarin-loaded MOFs (PEG-Sily@CME@ZIF-8) and a complete factorial design was used to optimize them. The crystalline size of CME@ZIF-8 was 14.7 nm and the size of PEG-Sily@CME@ZIF-8 was 17.39 nm. The loading percentage of the silymarin drug in CME@ZIF-8 was 33.5%. The optimized formulations were then characterized by ultraviolet–visible (UV–vis) spectroscopy, X-ray diffraction, Fourier transform IR spectroscopy, surface morphology, gas chromatography–mass spectrometry, and drug release in an in vitro medium. Additionally, a rat model was used to investigate the optimized formulation’s in vivo hepatoprotective effectiveness. The synthesized silymarin-loaded CME@ZIF-8 MOFs were distinct particles with a porous, spongelike shape and a diameter of (size) nm. Furthermore, the designed silymarin-loaded PEG-Sily@CME@ZIF-8 MOF formulation exhibited considerable silymarin release from the synthesized formula in dissolution investigations. The in vivo evaluation studies demonstrated that the prepared PEG-Sily@CME@ZIF-8 MOFs effectively exhibited a hepatoprotective effect in comparison with free silymarin in a CCl4-based induced-hepatotoxicity rat model via ameliorating the normal antioxidant enzyme levels and restoring the cellular abnormalities produced by CCl4 toxication. In combination, biologically produced CME@ZIF-8 may promise to be a viable biologically based nanocarrier that can enhance the loading and release of silymarin medication, which has low solubility in water.

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Section: Resultssupporting

confidence: 89%

Designing a Silymarin Nanopercolating System Using CME@ZIF-8: An Approach to Hepatic Injuries

Yu,

Saif,

Hasan

et al. 2023

ACS Omega

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“…The coating of ZnO NPs with amorphous SiO 2 reduced the dissolution of Zn 2+ ions in biological medium as well as reduced the cell cytotoxicity and DNA damage. The biocompatibility, stability, surface area, morphology, and size are the distinctive properties of Au, Zn, Cu, Ni, and SiO 2 NPs . Nanomaterials have demonstrated significant promise in a wide range of fields, from technology to biological sciences and from cellular to molecular and genetic processes. − However, there is a significant gap in knowledge concerning the precise mechanism of NPs-induced oxidative stress, and little information about toxic effects of Ag-SiO 2 is available in the literature.…”

Section: Introductionmentioning

confidence: 99%

Synthesis and Characterization of Silica, Silver-Silica, and Zinc Oxide-Silica Nanoparticles for Evaluation of Blood Biochemistry, Oxidative Stress, and Hepatotoxicity in Albino Rats

et al. 2023

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Evaluation of nanoparticles (NPs) for biomedical applications has received a lot of attention for detailed study on pharmacokinetics prior to clinical application. In this study, pure C-SiO 2 (crystalline silica) NPs and SiO 2 nanocomposites with silver (Ag) and zinc oxide (ZnO) were prepared by utilizing different synthesis routes such as sol−gel and co-precipitation techniques. The prepared NPs showed highly crystalline nature as confirmed by X-ray diffraction analysis where average crystallite sizes of 35, 16, and 57 nm for C-SiO 2 , Ag-SiO 2 , and ZnO-SiO 2 NPs, respectively, were calculated. Fourier transform infrared analysis confirmed the presence of functional groups related to the chemicals and procedures used for sample preparation. Due to agglomeration of the prepared NPs, the scanning electron microscope images showed large particle sizes when compared to their crystalline sizes. The optical properties of the prepared NPs such as absorption were obtained with UV−Vis spectroscopy. For in vivo biological evaluation, albino rats, both male and female, kept in different groups were exposed to NPs with 500 μg/kg dose. Hematological, serum biochemistry, histo-architecture, oxidative stress biomarkers, and antioxidant parameters in liver tissues along with various biomarkers for the evaluation of erythrocytes were estimated. The results on hemato-biochemistry, histopathological ailments, and oxidative stress parameters exhibited 95% alteration in the liver and erythrocytes of C-SiO 2 NPs-treated rats while 75 and 60% alteration in the liver tissues of rats due to exposure to Ag-SiO 2 and ZnO-SiO 2 NPs, respectively, when compared with the albino rats of the control (untreated) group. Therefore, the current study showed that the prepared NPs had adverse effects on the liver and erythrocytes causing hepatotoxicity in the albino rats in respective order C-SiO 2 > Ag SiO 2 > ZnO-SiO 2 . As the C-SiO 2 NPs appeared to be the most toxic, it has been concluded that coating SiO 2 on Ag and ZnO reduced their toxicological impact on albino rats. Consequently, it is suggested that Ag-SiO 2 and ZnO-SiO 2 NPs are more biocompatible than C-SiO 2 NPs.

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“…It also processes the viral polyproteins, targets the host interferon, and NF-κB pathways, and generates a functional replicase complex. Natural products are the freely available medicinal flora for the treatment of various diseases [34][35][36][37].…”

Section: Discussionmentioning

confidence: 99%

Pharmacotherapeutic Potential of Natural Products to Target the SARS-CoV-2 PLpro Using Molecular Screening and Simulation Approaches

Sayaf

Ahmad

Aslam

et al. 2023

Appl Biochem Biotechnol

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Because of the essential role of PLpro in the regulation of replication and dysregulation of the host immune sensing, it is considered a therapeutic target for novel drug development.To reduce the risk of immune evasion and vaccine effectiveness, small molecular therapeutics are the best complementary approach. Hence, we used a structure-based drug-designing approach to identify potential small molecular inhibitors for PLpro of SARS-CoV-2. Initial scoring and re-scoring of the best hits revealed that three compounds NPC320891 (2,2-Dihydroxyindene-1,3-Dione), NPC474594 (Isonarciclasine), and NPC474595 (7-Deoxyisonarciclasine) exhibit higher docking scores than the control GRL0617. Investigation of the binding modes revealed that alongside the essential contacts, i.e., Asp164, Glu167, Tyr264, and Gln269, these molecules also target Lys157 and Tyr268 residues in the active site. Moreover, molecular simulation demonstrated that the reported top hits also possess stable dynamics and structural packing. Furthermore, the residues' flexibility revealed that all the complexes demonstrated higher flexibility in the regions 120-140, 160-180, and 205-215. The 120-140 and 160-180 lie in the finger region of PLpro, which may open/close during the simulation to cover the active site and push the ligand inside. In addition, the total binding free energy was reported to be − 32.65 ± 0.17 kcal/mol for the GRL0617-PLpro, for the NPC320891-PLpro complex, the TBE was − 35.58 ± 0.14 kcal/ mol, for the NPC474594-PLpro, the TBE was − 43.72 ± 0.22 kcal/mol, while for NPC474595-PLpro complex, the TBE was calculated to be − 41.61 ± 0.20 kcal/mol, respectively. Clustering of the protein's motion and FEL further revealed that in NPC474594 and NPC474595 complexes, the drug was seen to have moved inside the binding cavity along with the loop in the palm region harboring the catalytic triad, thus justifying the higher binding of these two molecules particularly. In conclusion, the overall results reflect favorable binding of the identified hits strongly than the control drug, thus demanding in vitro and in vivo validation for clinical purposes.

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Incubating Green Synthesized Iron Oxide Nanorods for Proteomics-Derived Motif Exploration: A Fusion to Deep Learning Oncogenesis

Cited by 9 publications

References 72 publications

Designing a Silymarin Nanopercolating System Using CME@ZIF-8: An Approach to Hepatic Injuries

Designing a Silymarin Nanopercolating System Using CME@ZIF-8: An Approach to Hepatic Injuries

Synthesis and Characterization of Silica, Silver-Silica, and Zinc Oxide-Silica Nanoparticles for Evaluation of Blood Biochemistry, Oxidative Stress, and Hepatotoxicity in Albino Rats

Pharmacotherapeutic Potential of Natural Products to Target the SARS-CoV-2 PLpro Using Molecular Screening and Simulation Approaches

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