Phytochemicals as potential inhibitors for COVID-19 revealed by molecular docking, molecular dynamic simulation and DFT studies.

Researchers investigated the potential use of plant compounds for treating COVID-19 using molecular docking experiments. The compounds showed high binding affinity and two were further explored. Molecular mechanics-based calculations were used to re-rank the candidates, with two compounds being confirmed as stable in association with viral protease. The compounds' geometries, electrical properties, chemical reactivity, and intermolecular interactions were also studied. These in silico discoveries have identified potential COVID-19 inhibitors and could contribute to antiviral drug discovery.

Puthanveedu V and Muraleedharan K (2022).

Struct Chem.

DOI:

10.1007/s11224-022-01982-4

PubMed:

35729939

In vitro study on efficacy of PHELA, an African traditional drug against SARS-CoV-2.

Researchers investigated an herbal combination of four African medicinal plants known as PHELA as a potential therapy for COVID-19. In vitro testing found that PHELA inhibited > 90% of SARS-CoV-2 and SARS-CoV infection as well as close to 100% of MERS-CoV infection. In silico docking studies showed strong binding energy interactions between compounds in PHELA and SARS-CoV-2 proteins. PHELA has potential as a COVID-19 therapeutic.

Matsabisa MG et al (2022).

Sci Rep.

DOI:

10.1038/s41598-022-13599-y

PubMed:

35718800

Fermented Carica papaya and Morinda citrifolia as Perspective Food Supplements for the Treatment of Post-COVID Symptoms: Randomized Placebo-Controlled Clinical Laboratory Study.

Fermented food supplements improved clinical symptoms, reduced inflammation, and increased immune function in COVID-19 patients, according to a study with 188 participants. The findings suggest that fermented tropical fruits may effectively decrease post-COVID symptoms through immune-modulating, redox balancing, and pro-energy mechanisms.

Kharaeva Z et al (2022).

Nutrients.

DOI:

10.3390/nu14112203

PubMed:

35684003

Molecular docking of ethanol extracts of katuk leaf (Sauropus androgynus) on functional proteins of severe acute respiratory syndrome coronavirus 2.

Makati AC et al (2022).

S Afr J Bot.

DOI:

10.1016/j.sajb.2022.04.044

PubMed:

35668920

Multi-target potential of Indian phytochemicals against SARS-CoV-2: A docking, molecular dynamics and MM-GBSA approach extended to Omicron B.1.1.529.

This study looked at using naturally occurring substances (phytochemicals) as potential treatments for COVID-19. The researchers tested these substances against specific proteins in the SARS-CoV-2 virus and identified some promising candidates for further research. Given the persistent threat of COVID-19 and the need for additional prevention and treatment options, this work could have significant implications for future efforts to control the spread of the disease.

Roshni J et al (2022).

J Infect Public Health.

DOI:

10.1016/j.jiph.2022.05.002

PubMed:

35617830

Clinical safety and pharmacokinetic evaluation of aqueous extract of Cocculus hirsutus, an anti-viral phytopharmacetical drug as a potential for the treatment of dengue and COVID-19.

Scientists have conducted a study on AQCH tablets as a potential treatment for dengue and COVID-19 infections. The study aimed to evaluate the safety and pharmacokinetics of AQCH in healthy human subjects. AQCH has shown to have anti-viral activity in in vitro and small animal studies. With no effective vaccine or drug available for dengue, this study brings hope for a potential treatment option. The results of this study suggest that AQCH tablets are safe and well-tolerated in humans, and could be a promising solution in the fight against dengue and COVID-19.

Dar SK et al (2022).

Heliyon.

DOI:

10.1016/j.heliyon.2022.e09416

PubMed:

35582330

Potential of 24-Propylcholestrol as Immunity Inducer against Infection of COVID-19 Virus: In Silico Study Immunomodulatory Drugs.

Researchers investigated the potential of Betel leaf as an immune-modulator to combat the spread of COVID-19. Betel leaf has antibacterial, antioxidant, and anti-viral properties, making it a possible candidate against SARS-CoV-2. An in silico approach was used to search for compounds that inhibit three crucial proteins of the virus. This study shows promise in finding specific drugs for SARS-CoV-2 infection.

Kurnia D et al (2023).

Comb Chem High Throughput Screen.

DOI:

10.2174/1386207325666220509184838

PubMed:

35538835

Potential role of medicinal plants and their constituents in the mitigation of SARS-CoV-2: identifying related therapeutic targets using network pharmacology and molecular docking analyses.

Researchers investigated the use of medicinal plants and their constituents to combat SARS-CoV-2 through two strategies: prevention of virus replication and modulation of the host's immune system. Molecular docking studies identified promising compounds for drug development, while enriched pathways included those related to immune responses. This study suggests the potential use of medicinal plants in mitigating SARS-CoV-2 and identified natural compounds for further study.

Shawky E, Nada AA and Ibrahim RS (2020).

RSC Adv.

DOI:

10.1039/d0ra05126h

PubMed:

35519104