Characterization, biological evaluation and molecular docking of mulberry fruit pectin

Srivastava, Devika; Kumar, Umesh; Vishvakarma, Vijay Kumar; Singh, Prashant; Kumar, Dinesh; Kumar, Rajesh

doi:10.1038/s41598-020-78086-8

Cited by 31 publications

(12 citation statements)

References 48 publications

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“…aeruginosa than S-13 (Kumar et al, 2020). Another work suggested the antimicrobial properties of black mulberry pulp pectin and leaf chlorophyll encapsulated with carboxymethyl cellulose and silica nanoparticles exhibited antibacterial activity against S. aureus and E. coli (Sharifi & Pirsa, 2021) 4.…”

Section: Antimicrobial Activitymentioning

confidence: 98%

“…The antibacterial activity of pectin of two mulberry fruit varieties (BR‐2, S‐13) had tested against six bacterial strains. The minimum inhibitory concentration (500–1000 μg/ml) of BR‐2 pectin had a superior inhibitory effect on the growth of S. aureus , Streptococcus mutans , Salmonella typhi , E. coli , Bacillus cereus , and P. aeruginosa than S‐13 (Kumar et al, 2020). Another work suggested the antimicrobial properties of black mulberry pulp pectin and leaf chlorophyll encapsulated with carboxymethyl cellulose and silica nanoparticles exhibited antibacterial activity against S. aureus and E. coli (Sharifi & Pirsa, 2021).…”

Section: Therapeutic Effectsmentioning

confidence: 99%

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Mulberry plant as a source of functional food with therapeutic and nutritional applications: A review

Maqsood

Saeed

Sahar

et al. 2022

Journal of Food Biochemistry

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Medicinal plants from the family Moraceae have diverse applications in agriculture, cosmetics, food, and the pharmaceutical industry. Their extensive spectrum of pharmacological activity for treating numerous inflammatory illnesses, cancer, cardiovascular diseases, and gastrointestinal problems reflects their biological and therapeutic value. This article summarizes the molecular mechanisms related to the biological implications of mulberry extracts, fractions, and isolated bioactive compounds from different parts in various health‐related ailments. Additionally, the food industry and animal nutrition applications are summarized. Phytochemicals such as steroids, saponins, alkaloids, glycosides, polysaccharides, and phenolic compounds including terpenoids, flavonoids, anthocyanins, and tannins are found in this medicinal plant. The aqueous, ethanolic, and methanolic extracts, as well as bioactive compounds, have anti‐oxidative, hypoglycemic, nephroprotective, antimicrobial, neuroprotective, anti‐mutagenic, hepatoprotective, anthelmintic, immune‐modulatory, cardioprotective, and skin protecting activities. Mulberry supplementation in food products improves the stability of phenolics, sensory properties, antioxidant activity, and antimicrobial properties. Mulberry leaves in animal feed increase the nutrient digestibility, growth parameters, antimicrobial, and antioxidant properties. Practical applications This review summarized the in vivo and in vitro biological activities of the mulberry and isolated constituents in various health conditions. In addition, the food uses such as antioxidant potential, antimicrobial, and physicochemical properties were discussed. Furthermore, in vivo studies revealed mulberry as a significant protein source and its flavonoids as potential animal foliage.

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Section: Antimicrobial Activitymentioning

confidence: 98%

Section: Therapeutic Effectsmentioning

confidence: 99%

Mulberry plant as a source of functional food with therapeutic and nutritional applications: A review

Maqsood

Saeed

Sahar

et al. 2022

Journal of Food Biochemistry

View full text Add to dashboard Cite

show abstract

“…Effective docking algorithms efficiently explore high-dimensional spaces and employ a scoring system that rates candidate docking. When a ligand binds to the target, docking expresses the results in the form of physical data, that is, binding energy [35][36][37][38][39][40][41]. Many tools for performing molecular docking are available; some of the widely accepted tools are MolDock, iGemdock, ParDock, GOLD, LeDock, etc.…”

Section: Molecular Dockingmentioning

confidence: 99%

In Silico Evaluation of Binding of 2-Deoxy-D-Glucose with Mpro of nCoV to Combat COVID-19

et al. 2022

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COVID-19 has threatened the existence of humanity andthis infection occurs due to SARS-CoV-2 or novel coronavirus, was first reported in Wuhan, China. Therefore, there is a need to find a promising drug to cure the people suffering from the infection. The second wave of this viral infection was shaking the world in the first half of 2021. Drugs Controllers of India has allowed the emergency use of 2-deoxy-D-glucose (2DG) in 2021 for patients suffering from this viral infection. The potentiality of 2-deoxy-D-glucose to intervene in D-glucose metabolism exists and energy deprivation is an effective parameter to inhibit cancer cell development. Once 2DG arrives in the cells, it becomes phosphorylated to 2-deoxy-D-glucose-6-phosphate (2-DG6P), a charged molecule expressively captured inside the cells. On the other hand, 2DG lacks the ability to convert into fructose-6-phosphate, resulting in a hampering of the activity of both glucose-6-phosphate isomerase and hexokinase, and finally causing cell death. Hence, the potential and effectiveness of 2DG with the main protease (Mpro) of novel coronavirus (nCoV) should be investigated using the molecular docking and molecular dynamics (MD) simulations. The ability of 2DG to inhibit the Mpro of nCoV is compared with 2-deoxyglucose (2DAG), an acyclic molecule, and 2-deoxy-D-ribose (2DR). The binding energy of the molecules with the Mpro of nCoV is calculated using molecular docking and superimposed analysis data is obtained. The binding energy of 2DG, 2DR and 2DAG was −2.40, −2.22 and −2.88 kcal/mol respectively. Although the molecular docking does not provide reliable information, therefore, the binding affinity can be confirmed by molecular dynamics simulations. Various trajectories such as Rg, RMSD, RMSF, and hydrogen bonds are obtained from the molecular dynamics (MD) simulations. 2DG was found to be a better inhibitor than the 2DAG and 2DR based on the results obtained from the MD simulations at 300 K. Furthermore, temperature-dependent MD simulations of the Mpro of nCoV with promising 2DG was performed at 295, 310 and 315 K, and the effective binding with the Mpro of nCoV occurred at 295 K. With the use of DFT calculations, optimized geometry and localization of electron density of the frontier molecular orbitals were calculated.

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“…The structure of Mpro of SARS-CoV-2 has been taken from RCSB and was prepared using Chimera to avoid errors before performing the molecular docking and molecular dynamics simulation. Molecular docking of the plitidepsin with Mpro of nCoV was performed using iGemDock with high accuracy (Vishvakarma et al 2015 ; Kumar et al 2019 , 2020d ; Mishra et al 2021 ). The selected population size was 800 with 80 generations.…”

Section: Theoretical Calculationsmentioning

confidence: 99%

Hunting the main protease of SARS-CoV-2 by plitidepsin: Molecular docking and temperature-dependent molecular dynamics simulations

et al. 2021

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Characterization, biological evaluation and molecular docking of mulberry fruit pectin

Cited by 31 publications

References 48 publications

Mulberry plant as a source of functional food with therapeutic and nutritional applications: A review

Mulberry plant as a source of functional food with therapeutic and nutritional applications: A review

In Silico Evaluation of Binding of 2-Deoxy-D-Glucose with Mpro of nCoV to Combat COVID-19

Hunting the main protease of SARS-CoV-2 by plitidepsin: Molecular docking and temperature-dependent molecular dynamics simulations

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