Pharmacological and computer-aided studies provide new insights into Millettia peguensis Ali (Fabaceae)

Alam, Safaet; Emon, Nazim Uddin; Shahriar, Saimon; Richi, Fahmida Tasnim; Haque, Mohammad Rashedul; Islam, Mohammad Nazmul; Sakib, Shahenur Alam

doi:10.1016/j.jsps.2020.11.004

Cited by 49 publications

(33 citation statements)

References 67 publications

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“…Even in the modern era, plants are still very promising therapeutic sources to treat complications like pain, oxidative stress, cancer, diarrhea, depression, fever, and thrombosis, along with infectious diseases. This gives us hope that drugs can be developed to exert anti-COVID-19 efficacy from phyto wellsprings through several mechanism of actions (Figure 2) (Andrighetti-Fröhner et al, 2005;Alam et al, 2020;Jahan and Ahmet, 2020;Yang et al, 2020;Emon et al, 2021). The secondary metabolites alkaloids, flavonoids, polyphenols, tannins, lignins, coumarins, terpenoids, and stilbenes from medicinal plants are claimed to be efficacious in ameliorating infections from pathogenic microorganisms owing to its ability to arrest viral protein and enzymatic activities by binding with them, preventing viral penetration into and replication in the host cells (McCutcheon et al, 1995;Semple et al, 1998;Jahan and Ahmet, 2020).…”

Section: Introductionmentioning

confidence: 99%

Traditional Herbal Medicines, Bioactive Metabolites, and Plant Products Against COVID-19: Update on Clinical Trials and Mechanism of Actions

et al. 2021

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SARS-CoV-2 is the latest worldwide pandemic declared by the World Health Organization and there is no established anti-COVID-19 drug to combat this notorious situation except some recently approved vaccines. By affecting the global public health sector, this viral infection has created a disastrous situation associated with high morbidity and mortality rates along with remarkable cases of hospitalization because of its tendency to be high infective. These challenges forced researchers and leading pharmaceutical companies to find and develop cures for this novel strain of coronavirus. Besides, plants have a proven history of being notable wellsprings of potential drugs, including antiviral, antibacterial, and anticancer therapies. As a continuation of this approach, plant-based preparations and bioactive metabolites along with a notable number of traditional medicines, bioactive phytochemicals, traditional Chinese medicines, nutraceuticals, Ayurvedic preparations, and other plant-based products are being explored as possible therapeutics against COVID-19. Moreover, the unavailability of effective medicines against COVID-19 has driven researchers and members of the pharmaceutical, herbal, and related industries to conduct extensive investigations of plant-based products, especially those that have already shown antiviral properties. Even the recent invention of several vaccines has not eliminated doubts about safety and efficacy. As a consequence, many limited, unregulated clinical trials involving conventional mono- and poly-herbal therapies are being conducted in various areas of the world. Of the many clinical trials to establish such agents as credentialed sources of anti-COVID-19 medications, only a few have reached the landmark of completion. In this review, we have highlighted and focused on plant-based anti-COVID-19 clinical trials found in several scientific and authenticated databases. The aim is to allow researchers and innovators to identify promising and prospective anti-COVID-19 agents in clinical trials (either completed or recruiting) to establish them as novel therapies to address this unwanted pandemic.

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Section: Introductionmentioning

confidence: 99%

Traditional Herbal Medicines, Bioactive Metabolites, and Plant Products Against COVID-19: Update on Clinical Trials and Mechanism of Actions

et al. 2021

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“…However, a significant class of drug molecules retrieved from natural products has been recorded to be RO5 outliers [ 157 ]. They are considered to be pharmacologically active and have desirable ADME/Tox properties, including decent oral bioavailability, even though they seldom meet the recommended “drug-likeness” parameters [ 158 , 159 ]. In addition to pharmacokinetic profiles, all compounds satisfied most of the absorption (excluding GI absorption) and metabolism parameters.…”

Section: Discussionmentioning

confidence: 99%

Antioxidant-Rich Woodfordia fruticosa Leaf Extract Alleviates Depressive-Like Behaviors and Impede Hyperglycemia

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Dhaiphul (Woodfordia fruticosa) is a frequently demanded plant in South-East Asian regions for its diverse medicinal values. This study was proposed to examine antioxidant, antidiabetic, and antidepressant potentials of methanol extract of W. fruticosa leaves (MEWF) and its derived n-hexane (NHFMEWF) and ethyl acetate (EAFMEWF) fractions through in vitro, in vivo, and computational models. Among test samples, MEWF and EAFMEWF contained the highest phenolic content and showed maximal antioxidant activity in DPPH radical scavenging and ferric reducing power assays. In comparison, NHFMEWF possessed maximum flavonoid content and a significantly potent α-amylase inhibitory profile comparable with positive control acarbose. In animal models of depression (forced swimming and tail suspension test), EAFMEWF and NHFMEWF demonstrated a dose-dependent antidepressant-like effect; explicitly, the depressive-like behaviors significantly declined in EAFMEWF-treated dosing groups in contrast to the control group. In the computational analysis, previously isolated flavonoid compounds from Dhaiphul leaves manifested potent binding affinity against several key therapeutic target proteins of diabetes and depressive disorders including α-amylase, serotonin transporter, dopamine transporter, and neuronal nitric oxide synthase with varying pharmacokinetics and toxicity profiles. This research’s outcomes may provide potential dietary supplements for mitigating hyperglycemia, cellular toxicity, and depressive disorder.

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“…This tool contributes to predicting the binding mode of active compounds against the targeted proteins [ 73 ]. Additionally, it is used to comprehend the possible molecular mechanism of actions of various pharmacological activities [ 74 ]. The molecular docking was also performed to correlate with our current research outcomes and better understand the molecular mechanism [ 72 ].…”

Section: Discussionmentioning

confidence: 99%

Virtual screenings of the bioactive constituents of tea, prickly chaff, catechu, lemon, black pepper, and synthetic compounds with the main protease (Mpro) and human angiotensin-converting enzyme 2 (ACE 2) of SARS-CoV-2

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Background COVID-19 has mutation capability, and there are no specific drug therapies that are available to fight or inhibit the proteins of this virus. The present study aims to investigate the binding affinity of the bioactive and synthetic compounds with the main protease (Mpro) enzymes and angiotensin-converting enzyme 2 (ACE 2) by computational approach. PASS prediction, pharmacokinetics, and toxicological properties prediction studies were performed through the Google PASS prediction and Swiss ADME/T website. Besides, molecular docking studies were accomplished by BIOVIA Discovery Studio 2020, UCSF Chimera, and PyRx autodock vina. Results The docking scores were inferred and the selected compounds showed results varying from −3.2 to −9.8 (kcal/mol). Theaflavin scored the highest docking score to the 5REB, 6VW1, and 1R42 enzymes and showed the binding affinity as −6.3 kcal/mol, −9.8 kcal/mol, and −8.6 kcal/mol, respectively. Again, kaempferol showed the best binding affinity to the 7BQY (−7.1 kcal/mol) and 6Y2FB (−6.6 kcal/mol) enzymes. All the chemical constituents showed better probability in action in pass prediction analysis. Besides, no ligands (except theaflavin) have any conflict with Lipinski’s rules of five, which authorized the drug probability of these ligands. Conclusion Therefore, the selected compounds could be considered a potential herbal treatment source against SARS-CoV-2.

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Pharmacological and computer-aided studies provide new insights into Millettia peguensis Ali (Fabaceae)

Cited by 49 publications

References 67 publications

Traditional Herbal Medicines, Bioactive Metabolites, and Plant Products Against COVID-19: Update on Clinical Trials and Mechanism of Actions

Traditional Herbal Medicines, Bioactive Metabolites, and Plant Products Against COVID-19: Update on Clinical Trials and Mechanism of Actions

Antioxidant-Rich Woodfordia fruticosa Leaf Extract Alleviates Depressive-Like Behaviors and Impede Hyperglycemia

Virtual screenings of the bioactive constituents of tea, prickly chaff, catechu, lemon, black pepper, and synthetic compounds with the main protease (Mpro) and human angiotensin-converting enzyme 2 (ACE 2) of SARS-CoV-2

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