Derivation, Functionalization of (S)-Goniothalamin from Goniothalamus wightii and Their Derivative Targets SARS-CoV-2 MPro, SPro, and RdRp: A Pharmacological Perspective.

The tracing of an alternative drug, Phytochemicals is a promising approach to the viral threats that have emerged over the past two years. Across the world, herbal medicine is a better solution against anti-viral diseases during pandemic periods. Goniothalamus wightii is an herbal plant, which has diverse bioactive compounds with anticancer, antioxidant, and anti-viral properties. The aim of the study was to isolate the compound by chromatography studies and functionalization by FT-IR, LC-MS, and NMR (C-NMR, H-NMR). As a result, the current work focuses on whether (S)-Goniathalamin and its analogue could act as natural anti-viral molecules for multiple target proteins viz., MPro, RdRp, and SPro, which are required for SARS-CoV-2 infection. Overall, 954 compounds were examined and the molecular-docking studies were performed on the maestro platform of Schrodinger software. Molecular-dynamics simulation studies were performed on two complex major compounds to confirm their affinity across 150 simulations. This research suggests that plant-based drugs have high levels of antiviral properties against coronavirus. However, more research is needed to verify its antiviral properties.

Sulfated Polysaccharides Derived from Hypnea valentiae and Their Potential of Antioxidant, Antimicrobial, and Anticoagulant Activities with In Silico Docking.

Carrageenan, a sulfated polysaccharide, was produced by certain species of marine red seaweeds, which have been used as a significant source of food, feed, and antibiotic agent throughout history due to their alleged human health benefits. The present study aimed to derive the polysaccharides from Hypnea valentiae and describe the biological applications. Carrageenan was characterized by FT-IR, C-NMR, AFM, and their antimicrobial, antioxidant, and anticoagulant capabilities; furthermore, the larvicidal effect of methanol extract was generated from the seaweed against Aedes aegypti larvae at various concentrations. The molecular docking experiments were carried out computationally for finding the molecular insight of the macromolecules and small molecules' interaction using GLIDE docking by using Schrodinger software. Antibacterial zones of inhibition in different concentrations are compared with the 40 mg/mL higher activity against bacterial pathogens. Carrageenan is strong in all antioxidant activities, with the overall antioxidant (70.1 ± 0.61%) of radical at 250 µg/mL concentration being exhibited. The DPPH scavenging is effective in the inhibition of (65.74 ± 0.58%) radical at a concentration of 160 µg/mL and the hydroxyl scavenging (65.72 ± 0.60%) of activity at a concentration of 125 µg/mL being exhibited. Anticoagulant activities (APPT and PT) of carrageenan fraction were tested. H. valentiae and heparin sulphate shows higher activity of APTT (106.50 IU at 25 µg/mL) in comparison with the PT test (57.86 IU at 25 µg/mL) and the methanol extraction of higher larvicidal activity on A. aegypti (LC50 = 99.675 µg/mL). In this study, the carrageenan was exploited through in vitro and in silico molecular docking studies against antimicrobial, antioxidant, and anticoagulant properties. The results were establishing the potentiality of the carrageenan which is an alternative source to control the mosquitocidal property in the future. Moreover, molecular docking of carrageenan against multiple targets results in -7 to -6 Kcal/mol binding score. Findings of carrageen from in vitro to in silico studies are needed for further validation of clinical pieces of evidence.

Sargassum myriocystum-mediated TiO2-nanoparticles and their antimicrobial, larvicidal activities and enhanced photocatalytic degradation of various dyes.

Recently, the phyco-synthesis of nanoparticles has been applied as a reliable approach to modern research field, and it has yielded a wide spectrum of diverse uses in fields such as biological science and environmental science. This study used marine natural resource seaweed Sargassum myriocystum due to their unique phytochemicals and their significant attributes in giving effective response on various biomedical applications. The response is created by their stress-tolerant environmental adaptations. This inspired us to make an attempt using the above-mentioned charactersitics. Therfore, the current study performed phycosynthesis of titanium dioxide nanoparticles (TiO2-NPs) utilising aqueous extracts of S. myriocystum. The TiO2-NPs formation was confirmed in earlier UV-visible spectroscopy analysis. The crystalline structure, functional groups (phycomolecules), particle morphology (cubic, square, and spherical), size (∼50-90 nm), and surface charge (negative) of the TiO2-NPs were analysed and confirmed by various characterisation analyses. In addition, the seaweed-mediated TiO2-NPs was investigated, which showed potential impacts on antibacterial activity and anti-biofilm actions against pathogens (Staphylococcus aureus, S. epidermidis, Escherichia coli, Proteus vulgaris, Pseudomonas aeruginosa, and Klebsiella pneumoniae). Additionally, some evaluations were performed on larvicidal activities of TiO2-NPs in oppose to Aedes aegypti and Culex quinquefasciatus mosquitos and the environmental effects of photocatalytic activities against methylene blue and crystal violet under sunlight irradiation. The highest percent of methylene blue degradation was observed at 92.92% within 45 min. Overall, our findings suggested that S. myriocystum mediates TiO2-NPs to be a potent disruptive material for bacterial pathogens and mosquito larvae and also to enhance the photocatalytic dye degradation.

Green synthesis of selenium nanoparticles mediated from Ceropegia bulbosa Roxb extract and its cytotoxicity, antimicrobial, mosquitocidal and photocatalytic activities.

The present study is to design an eco-friendly mode to rapidly synthesize selenium nanoparticles (SeNPs) through Ceropegia bulbosa tuber's aqueous extracts and confirming SeNPs synthesis by UV-Vis spectroscopy, FT-IR, XRD, FE-SEM-EDS mapping, HR-TEM, DLS and zeta potential analysis. In addition, to assess the anti-cancer efficacy of the SeNPs against the cultured MDA-MB-231, as studies have shown SeNPs biosynthesis downregulates the cancer cells when compared to normal HBL100 cell lines. The study observed the IC50 value of SeNPs against MDA-MB-231 cells was 34 µg/mL for 48 h. Furthermore, the SeNPs promotes growth inhibitory effects of certain clinical pathogens such as Bacillus subtilis and Escherichia coli. Apart, from this the SeNPs has shown larvicidal activity after 24 h exposure in Aedes albopitus mosquito's larvae with a maximum of 250 g/mL mortality concentration. This is confirmed by the histopathology results taken at the 4th larval stage. The histopathological studies revealed intense deterioration in the hindgut, epithelial cells, mid gut and cortex region of the larvae. Finally, tried to investigate the photocatalytic activity of SeNPs against the toxic dye, methylene blue using halogen lamp and obtained 96% degradation results. Withal computational study SeNPs was shown to exhibit consistent stability towards breast cancer protein BRCA2. Overall, our findings suggest SeNPs as a potent disruptive agent for MDA-MB-231 cells, few pathogens, mosquito larvae and boosts the photocatalytic dye degradation.