Journal of Chemical Crystallography, Год журнала: 2025, Номер unknown
Опубликована: Март 21, 2025
Язык: Английский
Frontiers in Natural Products, Год журнала: 2025, Номер 3
Опубликована: Янв. 7, 2025
The increasing prevalence of viral infections and the emergence drug-resistant or mutant strains necessitate exploration novel antiviral strategies. Accumulating evidence suggests that natural plant products have significant potential to enhance human response. Various (PNPs) known for their properties been evaluated ability modulate immune responses inhibit infections. Research has focused on understanding mechanisms by which these PNPs interact with system complement existing therapies. control compounds such as alkaloids, flavonoids, terpenoids, polyphenols promote cytokine synthesis, increase T-cell macrophage activity, activate genes. Studies investigated molecular interactions between PNPs, viruses, host cells, exploring combining conventional drugs efficacy. However, several challenges remain, including identifying, characterizing, standardizing PNP extracts, optimizing dosages, improving bioavailability, assessing long-term safety, navigating regulatory approval. promising is being explored develop new, effective, This review outlines a framework an integrative approach connect full in combating health. By treatments, more effective sustainable management diseases can be achieved.
Язык: Английский
Процитировано
5
Briefings in Bioinformatics, Год журнала: 2020, Номер 22(2), С. 1402 - 1414
Опубликована: Дек. 23, 2020
The new coronavirus (SARS-CoV-2) halts the world economy and caused unbearable medical emergency due to high transmission rate also no effective vaccine drugs has been developed which brought pandemic situations. main protease (Mpro) of SARS-CoV-2 may act as an target for drug development conservation level. Herein, we have employed a rigorous literature review pipeline enlist 3063 compounds from more than 200 plants Asian region. Therefore, virtual screening procedure helps us shortlist total into 19 based on their better binding energy. Moreover, Prime MM-GBSA screened compound dataset further where curcumin, gartanin robinetin had score (-59.439, -52.421 - 47.544) kcal/mol, respectively. top three ligands energy scores most in catalytic groove Cys145, His41, Met165, required protein inhibition. molecular dynamics simulation study confirms docked complex rigidity stability by exploring root mean square deviations, fluctuations, solvent accessible surface area, radius gyration hydrogen bond analysis trajectories. post-molecular interactions similar pockets. Our computational designing approach contribute against SARS-CoV-2.
Язык: Английский
Процитировано
98
Frontiers in Pharmacology, Год журнала: 2021, Номер 12
Опубликована: Ноя. 8, 2021
Currently, viral infection is the most serious health issue which causing unexpected higher rate of death globally. Many viruses are not yet curable, such as corona virus-2 (SARS-CoV-2), human immunodeficiency virus (HIV), hepatitis virus, papilloma and so others. Furthermore, toxicities ineffective responses to resistant strains synthetic antiviral drugs have reinforced search effective alternative treatment options, plant-derived drug molecules. Therefore, in present review, an attempt has been taken summarize medicinal plants reported for exhibiting activities available Bangladesh along with discussing mechanistic insights into their bioactive components against three hazardous viruses, namely SARS-CoV-2, HIV, HBV. The review covers 46 activity from 25 families. Among 79 compounds having isolated these plants, about 37 them significant varieties viruses. Hesperidin, apigenin, luteolin, seselin, 6-gingerol, humulene epoxide, quercetin, kaempferol, curcumin, epigallocatechin-3-gallate (EGCG) inhibit multiple molecular targets SARS-CoV-2 replication a number silico investigations. Besides, numerous , vitro vivo bioassays demonstrated that EGCG, anolignan-A, B, ajoene, oleanolic acid exhibit anti-HIV while piperine, ursolic acid, (+)-cycloolivil-4′-O-β-d-glucopyranoside, aloin, rosmarinic andrographolide, hesperidin possess anti-HBV activity. Thus, may be considered further advanced investigations aim development affordable drugs.
Язык: Английский
Процитировано
83
Future Journal of Pharmaceutical Sciences, Год журнала: 2021, Номер 7(1)
Опубликована: Июль 21, 2021
Abstract Background Aloe vera and ferox have over the years been among most sought-after species in treatment of ailments worldwide. This review provides categorized literature on phytochemical scientifically proven toxicological profiles A. to facilitate their exploitation therapy. Main body abstract Original full-text research articles were searched PubMed, ScienceDirect, Research gate, Google Scholar, Wiley Online Library using specific phrases. Phenolic acids, flavonoids, tannins, anthraquinones main classes present all two species. Most investigations toxicity studies done leaves. contain unique phytoconstituents including anthraquinones, sterols, alkaloids, volatile oils. hydroalcoholic leaf extract showed a toxic effect Kabir chicks at highest doses. The methanolic, aqueous, supercritical carbon dioxide extracts gel associated with no effects. aqueous is well tolerated for short-term management but long-term administration may be organ toxicity. Long-term preparations from leaves roots was Short conclusion beneficial information about phytochemistry potential COVID-19 which up date has definite cure. Clinical trials need carried out clearly understand effects these
Язык: Английский
Процитировано
80
Chemical Reviews, Год журнала: 2022, Номер 122(13), С. 11287 - 11368
Опубликована: Май 20, 2022
Despite tremendous efforts in the past two years, our understanding of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), virus-host interactions, immune response, virulence, transmission, and evolution is still very limited. This limitation calls for further in-depth investigation. Computational studies have become an indispensable component combating disease 2019 (COVID-19) due to their low cost, efficiency, fact that they are free from safety ethical constraints. Additionally, mechanism governs global transmission SARS-CoV-2 cannot be revealed individual experiments was discovered by integrating genotyping massive viral sequences, biophysical modeling protein-protein deep mutational data, learning, advanced mathematics. There exists a tsunami literature on molecular modeling, simulations, predictions related developments drugs, vaccines, antibodies, diagnostics. To provide readers with quick update about this literature, we present comprehensive systematic methodology-centered review. Aspects such as biophysics, bioinformatics, cheminformatics, machine mathematics discussed. review will beneficial researchers who looking ways contribute those interested status field.
Язык: Английский
Процитировано
59
South African Journal of Botany, Год журнала: 2022, Номер 147, С. 993 - 1006
Опубликована: Март 1, 2022
Aloe vera is one of the oldest and most traditional medicinal plant in history, with its use dating back over a thousand years. Today, biological activity not limited to curative purposes. The expansion A. industry became evident during 90′s, when development this crop began emerge due global demand from consumers more concerned healthy lifestyle. Considering agro-industrial economic relevance that has acquired, work reviewed chemical, biological, nutritional characteristics, processing methods, innovations, industrial applications. contain than 75 bioactive compounds, among them relevant are polysaccharides, phenolics, phytosterols. Additionally, main technologies for leaves described, including those used obtain pressed filleted gel, whole leaf gel manual gel. This article shows applications pharmaceutical, cosmetic food industries presented world landscape million-dollar market generated around product, which 2018 was $1.60 billion. as natural functional ingredient or fortifier products animal vegetable origin been trend explored last Finally, through an in-depth analysis patents research articles, current scenario science innovation developed described.
Язык: Английский
Процитировано
43
International Journal of TROPICAL DISEASE & Health, Год журнала: 2021, Номер unknown, С. 1 - 12
Опубликована: Авг. 3, 2021
Aim: Malaria is among the most devastating and widespread tropical parasitic diseases. To overcome antimalarial drug resistance, new drugs need to be developed. This study designed establish pharmacokinetic profile toxicity of nine quinine derivatives as potential using in silico approaches by SwissADME pkCSM. Methodology: The structures investigated compounds were translated into canonical SMILES format then submitted web tool that gives free access physicochemical properties, pharmacokinetics, drug-likeness medicinal chemistry friendliness compounds, pkCSM webserver for predicting optimizing properties. Results: mainly used predict properties their revealed all have good bioavailability satisfied Lipinski’s rule five. results on absorption, distribution, metabolism, excretion show a they are safe since belong class 4 Globally Harmonized System (300 < Category ≤ 2000 mg/kg/day). Conclusion: Drug-likeness ADME/T predictions candidates oral formulation thus can broader context overcoming development resistance Plasmodium protozoans against currently treat malaria. As future prospects, further studies bioevaluation needed elucidate pharmacological activities.
Язык: Английский
Процитировано
48
International Journal of Molecular Sciences, Год журнала: 2022, Номер 23(11), С. 6276 - 6276
Опубликована: Июнь 3, 2022
Skin cancer (melanoma and non-melanoma) is the most frequent type of malignancy in Caucasian population. Photodynamic therapy (PDT) as an interesting unique strategy may potentially boost standard therapeutic approaches. In present study, potential emodin aloe-emodin photosensitizers photodynamic has been investigated. The conducted research presents for first-time comparison phototoxic anti-cancerous effects on skin cell lines, including SCC-25 representing cutaneous squamous carcinoma, MUG-Mel2 a melanoma line, normal human keratinocytes HaCaT control cells. To assess effectiveness photosensitizer PDT different we performed MTT assay measuring cytotoxicity natural compounds, cellular uptake, apoptosis with flow cytometry, wound-healing assay. Although are isomers differ only position one hydroxyl group, our phototoxicity detection results show that both substances affect cells (SSC-25 carcinoma melanoma) (HaCaT line) other ways. conclusion, study provides evidence suggesting mediated exhibits clinical development new effective safe to treat cancer.
Язык: Английский
Процитировано
30
Biotechnology Advances, Год журнала: 2024, Номер 72, С. 108325 - 108325
Опубликована: Фев. 21, 2024
Язык: Английский
Процитировано
7
Chemical Physics Letters, Год журнала: 2020, Номер 761, С. 138068 - 138068
Опубликована: Окт. 7, 2020
Язык: Английский
Процитировано
40