Potentiality of <i>Moringa oleifera</i> against SARS-CoV-2: identified by a rational computer aided drug design method

Sen, Debanjan; Bhaumik, Samhita; Debnath, Pradip; Debnath, Sudhan

doi:10.1080/07391102.2021.1898475

Cited by 24 publications

(12 citation statements)

References 69 publications

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“…M. oleifera has been used as a nutrient supplement and to boost the immune system of HIV infected people in Zimbabwe [6]. Virtual screening and molecular dynamics stimulation of M. oleifera were performed to identify potential SARS-CoV-2 M pro inhibitors and three flavonoids substances were identified, which may be developed as a potential protective and therapeutic agent against COVID-19 with a computer drug design method [7]. The traditional Siddha healers in the Virudhunagar district of Tamil Nadu, India used the M. oleifera flower as an aphrodisiac [8].…”

Section: Introductionmentioning

confidence: 99%

Effect of Moringa oleifera Lam. Leaf Tea on Sexual Behavior and Reproductive Function in Male Rats

Laoung-on

Saenphet

Jaikang

et al. 2021

Plants

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Moringa oleifera Lam. (M. oleifera) has been called the “miracle tree” due to its attributes for therapy in various diseases. However, M. oleifera studies on the male reproductive system have been limited. The aim of this study was a phytochemical screening and investigation of the effects of M. oleifera leaf tea on sexual behavior, reproductive function and antioxidant activities. Male rats were fed with M. oleifera leaf tea extract at doses of 0.55, 1.10 and 2.20 mg/kg or distilled water for 30 days. The result showed that M. oleifera leaf tea contained rich total phenols and flavonoids. The courtship behavior, seminiferous tubule diameter, epithelium height, epithelium area, type A spermatogonia, and spermatogonia efficiency were significantly increased in all treatment groups. The groups treated with 1.10 and 2.20 mg/kg increased the number of Sertoli cells. The total of spermatogenic cells increased in the group treated with 0.55 mg/kg. M. oleifera leaf tea scavenged DPPH radical, ABTS radical and H2O2, and inhibited LPO and AGEs formation. Due to M. oleifera leaf tea containing rich total phenols, flavonoids, and antioxidants, it could enhance sexual function and the male reproductive system.

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Section: Introductionmentioning

confidence: 99%

Effect of Moringa oleifera Lam. Leaf Tea on Sexual Behavior and Reproductive Function in Male Rats

Laoung-on

Saenphet

Jaikang

et al. 2021

Plants

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“…2A and D). Some recently published studies have analyzed in silico computational analysis using randomly selected compounds from the plant origin [38,39]; however, in this study, GC-MS analysis of MOL extract was performed to find out the active phytoconstituents and then analyzed their binding effects. A previous study has reported the protein-ligand complexes stability with SARS-CoV-2 Mpro using three main flavonoids isorhamnetin, kaempferol, and apigenin at 100-ns simulation, which demonstrated a strong binding affinity and a stable configuration throughout the simulation [38].…”

Section: Molecular Dynamics (Md) Simulation Analysismentioning

confidence: 99%

“…Some recently published studies have analyzed in silico computational analysis using randomly selected compounds from the plant origin [38,39]; however, in this study, GC-MS analysis of MOL extract was performed to find out the active phytoconstituents and then analyzed their binding effects. A previous study has reported the protein-ligand complexes stability with SARS-CoV-2 Mpro using three main flavonoids isorhamnetin, kaempferol, and apigenin at 100-ns simulation, which demonstrated a strong binding affinity and a stable configuration throughout the simulation [38]. Likewise, another study has reported the simulation analysis of ellagic acid and apigenin phytoconstituents from Moringa oleifera against nsp9/10 of SARS-CoV-2 at 30-ns timescale, in which ellagic acid was found to be more noticeable on nsp9 as compared to apigenin for nsp10 [39].…”

Section: Molecular Dynamics (Md) Simulation Analysismentioning

confidence: 99%

Interaction of Bioactive Compounds of Moringa oleifera Leaves with SARS-CoV-2 Proteins to Combat COVID-19 Pathogenesis: a Phytochemical and In Silico Analysis

Siddiqui

Upadhyay

Ahmad

et al. 2022

Appl Biochem Biotechnol

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Novel SARS-CoV-2 claimed a large number of human lives. The main proteins for viral entry into host cells are SARS-CoV-2 spike glycoprotein (PDB ID: 6VYB) and spike receptor-binding domain bound with ACE2 (spike RBD-ACE2; PDB ID: 6M0J). Currently, specific therapies are lacking globally. This study was designed to investigate the bioactive components from Moringa oleifera leaf (MOL) extract by gas chromatographymass spectroscopy (GC-MS) and their binding interactions with spike glycoprotein and spike RBD-ACE2 protein through computational analysis. GC-MS-based analysis unveiled the presence of thirty-seven bioactive components in MOL extract, viz. polyphenols, fatty acids, terpenes/triterpenes, phytosterols/steroids, and aliphatic hydrocarbons. These bioactive phytoconstituents showed potential binding with SARS-CoV-2 spike glycoprotein and spike RBD-ACE2 protein through the AutoDock 4.2 tool. Further by using AutoDock 4.2 and AutoDock Vina, the top sixteen hits (binding energy ≥ − 6.0 kcal/mol) were selected, and these might be considered as active biomolecules. Moreover, molecular dynamics simulation was determined by the Desmond module. Interestingly two biomolecules, namely β-tocopherol with spike glycoprotein and β-sitosterol with spike RBD-ACE2, displayed the best interacting complexes and low deviations during 100-ns simulation, implying their strong stability and compactness. Remarkably, both β-tocopherol and β-sitosterol also showed the drug-likeness with no predicted toxicity. In conclusion, these findings suggested that both compounds β-tocopherol and β-sitosterol may be developed as anti-SARS-CoV-2 drugs. The current findings of in silico approach need to be optimized using in vitro and clinical studies to prove the effectiveness of phytomolecules against SARS-CoV-2.

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“…P. tuberculatum and, S. arboreum are recognized and used mainly in the Colombian Pacific region for their antimicrobial, analgesic, and antipyretic properties against several diseases (14,(19)(20)(21)(22), including COVID-19 despite the absence of scientific evidence. The potential of M. oleifera against SARS-CoV-2 has been explored recently by in silico approaches, finding flavonoid present on this plant showed good binding affinity, stable protein-ligand complexes, high binding energy, and similar binding poses in comparison with known SARS-CoV-2 Mpro inhibitor (23)(24)(25); its effect on COVID-19 associated coinfections has been explored as well (26). S. magellanicum is one of the most globally widespread mosses, traditionally used in Europe as an antiseptic and wound sterilization and was widely used during the first world war.…”

Section: Introductionmentioning

confidence: 99%

In vitro antiviral activity against SARS-CoV-2 of plant extracts used in Colombian traditional medicine

Flórez-Álvarez

Martínez

Zapata-Cardona

et al. 2022

Vitae

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Background: Coronavirus infectious disease 2019 (COVID-19) caused by the infection with the new coronavirus SARS-CoV-2 has affected the life and health of more than 222 million people. In the absence of any specific pharmacological treatment, the need to find new therapeutic alternatives is clear. Medicinal plants are widely used worldwide to treat different conditions, including COVID-19; however, in most cases, there are no specific studies to evaluate the efficacy of these treatments. Objective: This article evaluates the antiviral effect of six plant extracts used by indigenous and afro Colombian people against SARS-CoV-2 in vitro. Methods: The antiviral effect of six extracts prepared from plants used in Colombian traditional medicine was evaluated against SARS-CoV-2 through a pre-post treatment strategy on the Vero E6 cell line. Once cytotoxicity was established through an MTT assay, the antiviral effect of the extracts was calculated based on the reduction in the viral titer determined by plaque assay. Results: Gliricidia sepium inhibited SARS-CoV-2 in a 75.6%, 56.8%, 62.5% and 40.0% at 10 mg/mL, 8 mg/mL, 6 mg/mL, and 2 mg/mL, respectively, while P. tuberculatum treatment reduced viral titer in 33.3% at 6 mg/mL after 48h. Conclusion: G. sepium and P. tuberculatum extracts exhibit antiviral activity against SARS-CoV-2 in vitro.

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Potentiality of Moringa oleifera against SARS-CoV-2: identified by a rational computer aided drug design method

Cited by 24 publications

References 69 publications

Effect of Moringa oleifera Lam. Leaf Tea on Sexual Behavior and Reproductive Function in Male Rats

Effect of Moringa oleifera Lam. Leaf Tea on Sexual Behavior and Reproductive Function in Male Rats

Interaction of Bioactive Compounds of Moringa oleifera Leaves with SARS-CoV-2 Proteins to Combat COVID-19 Pathogenesis: a Phytochemical and In Silico Analysis

In vitro antiviral activity against SARS-CoV-2 of plant extracts used in Colombian traditional medicine

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