Identifying the Anti-MERS-CoV and Anti-HcoV-229E Potential Drugs from the Ginkgo biloba Leaves Extract and Its Eco-Friendly Synthesis of Silver Nanoparticles

Elshazly, Ezzat H.; Nasr, Alyaa; Elnosary, Mohamed E.; Gouda, Gamal A.; Mohamed, Hassan; Song, Yuanda

doi:10.3390/molecules28031375

Cited by 16 publications

(13 citation statements)

References 111 publications

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“…In addition, molecular docking of the biosurfactant’s active components showed antiviral behavior against the zika virus and the human immunodeficiency virus. Like Zika, dengue virus (DENV) is a flavivirus ( Culshaw et al, 2017 ; Shu et al, 2021 ; Elshazly et al, 2023 ; Hussein et al, 2023 ; Selim et al, 2023 ) that can cause serious illness or death. The use of broad-spectrum antiviral inhibitors might be extremely helpful in the treatment of ZIK virus and other flavivirus infections.…”

Section: Discussionmentioning

confidence: 99%

Exploring biosurfactant from Halobacterium jilantaiense as drug against HIV and zika virus: fabrication, characterization, cytosafety property, molecular docking, and molecular dynamics simulation

Almuhayawi,

Elshafey,

Hagagy

et al. 2024

Front. Bioeng. Biotechnol.

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Biosurfactants are surface-active molecules with unique qualities and various uses. Many microorganisms produce secondary metabolites with surface-active characteristics that serve various antiviral functions. The HIV and Zika viruses were chosen for this study because they can spread from mother to child and result in potentially fatal infections in infants. Halophilic bacteria from the Red Sea solar saltern in Egypt were screened using drop collapse, emulsification activity, and oil displacement assays to produce biosurfactants and emulsifiers. Halobacterium jilantaiense strain JBS1 was the most effective strain of the Halobacteriaceae family. It had the best oil displacement test and emulsification activity against kerosene and crude oil, respectively. Among the ten isolates, it produced the most promising biosurfactant, also recognized by the GC-MASS library. This study evaluated biosurfactants from halophilic bacteria as potential antiviral drugs. Some of the computer methods we use are molecular docking, ADMET, and molecular dynamics. We use model organisms like the HIV reverse transcriptase (PDB: 5VZ6) and the Zika virus RNA-dependent RNA polymerase (ZV-RdRP). Molecular docking and molecular dynamics make the best complexes with 5VZ6 HIV-RT and flavone (C25) and 5wz3 ZV-RdRP and ethyl cholate (C8). Testing for ADMET toxicity on the complex revealed that it is the safest medicine conceivable. The 5VZ6-C25 and 5wz3-C8 complexes also followed the Lipinski rule. They made five hydrogen bond donors and ten hydrogen bond acceptors with 500 Da MW and a 5:1 octanol/water partition coefficient. Finally, extreme settings require particular adaptations for stability, and extremophile biosurfactants may be more stable.

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Section: Discussionmentioning

confidence: 99%

Exploring biosurfactant from Halobacterium jilantaiense as drug against HIV and zika virus: fabrication, characterization, cytosafety property, molecular docking, and molecular dynamics simulation

Almuhayawi,

Elshafey,

Hagagy

et al. 2024

Front. Bioeng. Biotechnol.

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“…The nanoparticles exhibited a mean particle size ranging from 5.46 to 19.40 nm and an average diameter of 11.81 nm. In vitro experiments demonstrated that AgNPs have a moderate inhibition against MERS-CoV and HCoV-229E, which share similar sequence homology with SARS-CoV-2 [ 202 ]. Figure 10 demonstrates the potential uptake mechanism of an EGb nano-conjugate via transcytosis.…”

Section: Perspectives For Use Of Ginkgo Biloba In Nanotherapies Of Ne...mentioning

confidence: 99%

“…For the development of nanotherapeutics, nanoparticles are characterized using different techniques [ 198 , 199 , 200 , 201 , 202 , 203 , 204 , 205 , 206 , 207 , 208 , 209 , 210 , 211 , 212 , 213 ]. Sufficient knowledge of the safety, efficacy, and quality of nanotherapies is required to enable easy translation toward clinical applications [ 211 ].…”

Section: Perspectives For Use Of Ginkgo Biloba In Nanotherapies Of Ne...mentioning

confidence: 99%

Ginkgo Biloba and Long COVID: In Vivo and In Vitro Models for the Evaluation of Nanotherapeutic Efficacy

Akanchise

Angelova

2023

Pharmaceutics

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Coronavirus infections are neuroinvasive and can provoke injury to the central nervous system (CNS) and long-term illness consequences. They may be associated with inflammatory processes due to cellular oxidative stress and an imbalanced antioxidant system. The ability of phytochemicals with antioxidant and anti-inflammatory activities, such as Ginkgo biloba, to alleviate neurological complications and brain tissue damage has attracted strong ongoing interest in the neurotherapeutic management of long COVID. Ginkgo biloba leaf extract (EGb) contains several bioactive ingredients, e.g., bilobalide, quercetin, ginkgolides A–C, kaempferol, isorhamnetin, and luteolin. They have various pharmacological and medicinal effects, including memory and cognitive improvement. Ginkgo biloba, through its anti-apoptotic, antioxidant, and anti-inflammatory activities, impacts cognitive function and other illness conditions like those in long COVID. While preclinical research on the antioxidant therapies for neuroprotection has shown promising results, clinical translation remains slow due to several challenges (e.g., low drug bioavailability, limited half-life, instability, restricted delivery to target tissues, and poor antioxidant capacity). This review emphasizes the advantages of nanotherapies using nanoparticle drug delivery approaches to overcome these challenges. Various experimental techniques shed light on the molecular mechanisms underlying the oxidative stress response in the nervous system and help comprehend the pathophysiology of the neurological sequelae of SARS-CoV-2 infection. To develop novel therapeutic agents and drug delivery systems, several methods for mimicking oxidative stress conditions have been used (e.g., lipid peroxidation products, mitochondrial respiratory chain inhibitors, and models of ischemic brain damage). We hypothesize the beneficial effects of EGb in the neurotherapeutic management of long-term COVID-19 symptoms, evaluated using either in vitro cellular or in vivo animal models of oxidative stress.

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“…Plant extracts, medicinal oils, and essential oils can all be used for various purposes. The antioxidant, insecticidal, antifungal, anticancer, antiviral, and antibacterial effects of essential oils have been investigated ( Sylvestre et al, 2006 ; Elshazly et al, 2023 ). The existence of two plant phenolic chemicals, carvacrol and thymol, which are primarily responsible for all plant oils’ antibacterial activity, has been demonstrated ( Chao et al, 2000 ).…”

Section: Introductionmentioning

confidence: 99%

In vitro and in silico biopotentials of phytochemical compositions and antistaphylococcal and antipseudomonal activities of volatile compounds of Argania spinosa (L.) seed oil

Almuhayawi,

Alruhaili,

Gattan

et al. 2024

Front. Bioeng. Biotechnol.

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Active components in medicinal plants provide unlimited useful and traditional medicines. Antimicrobial activities are found in secondary metabolites in plant extracts such as argan oil. This experimental investigation aims to determine argan oil’s volatile compounds and examine their in vitro antimicrobial properties. In silico simulations, molecular docking, pharmacokinetics, and drug-likeness prediction revealed the processes underlying the in vitro biological possessions. Gas chromatography–mass spectrometry (GC/MS) was used to screen argan oil’s primary components. In silico molecular docking studies were used to investigate the ability of the selected bioactive constituents of argan oil to act effectively against Pseudomonas aeruginosa and Staphylococcus aureus (S. aureus) isolated from infections. The goal was to study their ability to interact with both bacteria’s essential therapeutic target protein. The 21 chemicals in argan oil were identified by GC/MS. Docking results for all compounds with S. aureus and P. aeruginosa protease proteins ranged from −5 to −9.4 kcal/mol and −5.7 to −9.7 kcal/mol, respectively, compared to reference ligands. Our docking result indicates that the 10-octadecenoic acid, methyl ester was the most significant compound with affinity scores of −9.4 and −9.7 kcal/mol for S. aureus and P. aeruginosa proteins, respectively. The minimal bactericidal concentration (MBC) and minimal inhibitory concentration (MIC) of argan oil were 0.7 ± 0.03 and 0.5 ± 0.01 for S. aureus and 0.4 ± 0.01 and 0.3 ± 0.02 for P. aeruginosa, respectively. We confirmed the antimicrobial properties of argan oil that showed significant growth inhibition for S. aureus and P. aeruginosa.

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Identifying the Anti-MERS-CoV and Anti-HcoV-229E Potential Drugs from the Ginkgo biloba Leaves Extract and Its Eco-Friendly Synthesis of Silver Nanoparticles

Cited by 16 publications

References 111 publications

Exploring biosurfactant from Halobacterium jilantaiense as drug against HIV and zika virus: fabrication, characterization, cytosafety property, molecular docking, and molecular dynamics simulation

Exploring biosurfactant from Halobacterium jilantaiense as drug against HIV and zika virus: fabrication, characterization, cytosafety property, molecular docking, and molecular dynamics simulation

Ginkgo Biloba and Long COVID: In Vivo and In Vitro Models for the Evaluation of Nanotherapeutic Efficacy

In vitro and in silico biopotentials of phytochemical compositions and antistaphylococcal and antipseudomonal activities of volatile compounds of Argania spinosa (L.) seed oil

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