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A Pro‐Gly‐typed cyclopeptide, cyclosenegalin A, was firstly isolated from Annona senegalensis and Annona scleroderma. In this study, we reported synthesis the cycloheptapeptide with a combination of solid‐ and solution‐phase synthetic methods. This study also compared the effectiveness of β‐turn inducer type I and II in cyclosenegalin A to facilitate the cyclization process. The synthesis of cyclosenegalin A were prepared using two different sequences of linear peptides for cyclization. First sequence employed β‐turn type I inducer (Ser‐Ala‐Val‐Thr) as turning point and second sequence employed β‐turn type II inducer (Thr‐Pro‐Gly‐Leu). The successful cyclization was obtained using the linear sequence of NH2‐Ala‐Val‐Thr‐Pro‐Gly‐Leu‐Ser‐OH with β‐turn type II. The final product was obtained in 8.2 % yield with PyBOP/DIEA act as coupling agent. The synthetic cyclosenegalin A were characterized with HR‐ToFMS, 1H NMR, 13C NMR, HSQC, HMBC, TOCSY, and ROESY. The synthetic product was also evaluated for its antimicrobial activity. [ABSTRACT FROM AUTHOR]

Purpose: This study aimed to evaluate the potency of 471 flavonoids from the genus Erythrina as potential acetylcholinesterase (AChE) inhibitors and free radical scavengers through computational studies to develop Alzheimer's disease (AD) therapies from natural products. Methods: A total of 471 flavonoids from the genus Erythrina were subjected to molecular docking against AChE, followed by toxicity screening. The potential AChE inhibitors with the least toxic profile were subjected to further investigation through molecular dynamics (MD) simulations, density functional theory (DFT) study, and in silico pharmacokinetic predictions. Results: A combination of molecular docking and in silico toxicity screening led to the identification of 2(S)‒5,7‒dihydroxy‒5′‒methoxy‒[2′′,2′′‒(3′′‒hydroxy)‒dimethylpyrano]‒(5′′,6′′:3′,4′) flavanone (89) and Abyssinoflavanone IV (83) as potential AChE inhibitors. These compounds had stable binding to AchE and exhibited lower Root Mean Square Deviation (RMSD) values compared to the apo state of AChE. In addition, Molecular Mechanics Generalized Born Surface Area (MMGBSA) analysis revealed that the binding energies of 89 and 83 were significantly lower compared to acetylcholine, the natural substrate of AChE. Based on DFT study, these compounds exhibited a higher energy in the highest occupied molecular orbital (EHOMO) and lower electron affinity (EA) than Quercetin. This indicated that 89 and 83 could be potential radical scavengers through their electron-donating activity. Conclusion: Although this study primarily relied on computational methods, the results showed the dual functionality of compounds 89 and 83 as both potential AChE inhibitors and free radical scavengers. Further investigation in wet laboratory experiments is required to validate their therapeutic potential for AD. [ABSTRACT FROM AUTHOR]

Introduction: Erythrina subumbrans, a medical plant found in sub-Saharan Africa and the Western Ghats of India, shows promise as a potential source of bioactive compounds to treat cancer. In our ongoing research on folk medical plants, we report the isolation of flavonoid compound from the stem bark of E. subumbrans along with its cytotoxic activity against breast cancer (MCF-7 and T47D), and cervical cancer (HeLa) cell lines. Purpose: This study aimed to isolate secondary metabolite from the stem bark of E. subumbrans and evaluate its cytotoxic activity to support the use of folk medicinal plants as alternative therapy against cancer. Methods: Isolupalbigenin was isolated from the stem bark of E. subumbrans by column chromatography. Cytotoxic activity against breast cancer (MCF-7 and T47D) and cervical cancer (HeLa) cell lines was evaluated using the MTT assay, whereas the in silico study was evaluated using molecular docking and molecular dynamics against estrogen receptor alpha (ERα). Results: The cytotoxic assay showed that isolupalbigenin inhibited the growth of MCF-7 cell with an IC50 of 31.62 μg∙mL− 1, while showing no toxicity against normal human cells (Vero cell line). The molecular docking results suggested that isolupalbigenin can bind to ERα with a lower binding affinity than estradiol, whereas the stability of the isolupalbigenin-ERα complex was confirmed by molecular dynamic simulation with a median Root Mean Square Deviation (RMSD) of 2.80 Å. Toxicity prediction suggested that isolupalbigenin was less likely to cause hepatotoxicity or carcinogenicity, whereas pharmacokinetic prediction suggested that isolupalbigenin has high intestinal absorption with medium Caco2 permeability. In addition, isolupalbigenin was predicted to have a medium volume of distribution (Vd). Conclusion: Isolupalbigenin isolated from the stem bark of E. subumbrans with cytotoxic activity supports further development of plants from the genus Erythrina as a medicinal plant for alternative therapy against cancer. [ABSTRACT FROM AUTHOR]

Chisocarpene A (1) is a new tirucallane-type triterpenoid together with odoratone (2) and 24-methylenecycloartanol (3), isolated from the stem bark of Chisocheton lasiocarpus. The chemical structures of compounds 1–3 were elucidated through a detailed analysis of their spectroscopic data (IR, MS, 1 D, and 2 D NMR). The isolated compounds were evaluated for cytotoxic activity against the MCF-7 breast cancer cell line using a resazurin-based assay. Compound 1 showed the most potent activity (IC50 26.56 ± 1.01 µM) and was two-fold more active than the positive control. [ABSTRACT FROM AUTHOR]

Breast cancer is one of the most serious health problems in the world. The common treatments for breast cancer have side effects and resistance, so the search for cancer drugs from natural products that are more effective is still a concern for researchers. Flavonoids from Erythrina crista-galli, which is one of the natural products, have the potential as anticancer drugs based on their phytoestrogen activity that has been reported. The aim of this research is to isolate flavonoids from extract butanol of E. crista-galli with column chromatography and determine their anticancer activity by the in silico molecular docking method. Two flavonoid compounds with the names 6,8-diprenylgenistein from the isoflavone group and phaseolin from the pterocarpan group were isolated. Molecular docking analysis showed that the highest binding affinity values for compounds 1 and 2 were to CDK-2 protein with values of -10.14 and -8.8 kcal/mol, respectively. However, it is also possible to suggest inhibition through ER protein, especially in compound 1, with a value of -10.66 kcal/mol. Therefore, inhibition of the target CDK-2 enzyme is the most promising for the development of new drugs. [ABSTRACT FROM AUTHOR]

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Endophytes are a potent source of bioactive compounds that mimic plant-based metabolites. Fungi Fusarium spp. and Clonostachys rosea have been identified as pathogenic microorganisms in ramie (Boehmeria nivea). The antifungal test was carried out using the diffusion method and the MIC50 and Minimum Fungicidal Concentration (MFC) values using the tested microbial pathogens were Fusarium solani isolate 3248941, F. solani isolate Colpat-359, F. oxysporum isolate N-61-2, dan Clonostachys rosea strain B3042. Identification of secondary metabolites of the extract was carried out using GC-MS. The chromatogram of GC-MS analysis of this ethyl acetate extract (EA) showed seven dominant chemical compounds with various biological activities. Ethyl asetate extract of P. citrinum showed inhibition zone ranged from 19.10–22.07 mm with strong-very strong category at 200 mg ml-1 concentration against the tested microbial pathogens. Results revealed that the significant MIC values were observed against F. solani isolate 3248941 and Clonostachys rosea strain B3042 by less than 6.3 mg ml-1 and against F. solani isolate Colpat-359 and F. oxysporum isolate N-61-2 with 12.5 mg ml-1 and 25 mg ml-1 respectively. Minimum Fungicidal concentrations (MFC) for EA of P. citrinum were also reported against F. solani isolate 3248941 and C. rosea strain B3042, by 12.5 mg ml-1, whilst Fusarium solani isolate Colpat-359 by 25 mg ml-1 and Fusarium oxysporum isolate N-61-2,by 50 mg ml-1 respectively. Results of this study showed that P. citrinum, endophytic fungi of ramie, could be a promising source of compounds for antifungal agents. [ABSTRACT FROM AUTHOR]

Musa paradisiaca var. Kepok Tanjung is a popular banana cultivar that is widely consumed by the majority of the Indonesia’s population. However, the browning of explants caused by the polyphenol oxidase (PPO) enzyme is becoming a major constraint for its production which can lead to the low productivity of seedlings. Therefore, this research aims to determine the antioxidant activity of Citrus aurantifolia peel extracts and their ability in inhibiting the browning of Kepok Tanjung bananas explants at the shoot initiation stage under in vitro condition. The extracts were obtained through the maceration of C. aurantifolia peel residue using n-hexane, ethyl acetate, and ethanol solvents which were added to the culture medium. Furthermore, the 50% inhibitory concentration (IC50) was determined by the 2,2-diphenyl-1-picrylhydrazyl (DPPH) method, while enzyme activity was assessed by spectrophotometric method using catechol substrate. The results showed that the ethyl acetate extract of C. aurantifolia peel from day 6 at concentration of 0.3 mg/mL can inhibit oxidation, as shown by the reduced browning index of the explants. Meanwhile, the highest antioxidant activity was discovered at day 9 with PPO enzyme activity of 80.261 U/mL at the same concentration. [ABSTRACT FROM AUTHOR]

Two new dammarane-type triterpenoid fatty acid ester derivatives, 3β-oleate-20S-hydroxydammar-24-en (1) and 3β-oleate-20S,24S-epoxy-25-hydroxydammarane (2) with a known dammarane-type triterpenoid compound, such as 20S-hydroxydammar-24-en-3-on (3), were isolated from the stem bark of Aglaiaelliptica (C.DC.) Blume. The chemical structures were determined by spectroscopic methods, including FTIR, NMR (one and two-dimensional), and HRESITOF-MS analysis, as well as chemical derivatization and comparison with previous literature. Furthermore, the synthetic analog resulting from transesterification of 1 and 2 also obtained 3β,20S-dihydroxy-dammar-24-en (4) and 20S,24S-epoxy-3β,25-dihydroxydammarane (5), respectively. The cytotoxic effect of all isolated and synthetic analog compounds was evaluated using PrestoBlue reagent against MCF-7 breast cancer cell and B16-F10 melanoma cell lines. The 20S-hydroxydammar-24-en-3-on (3) showed the strongest activity against MCF-7 breast cancer and B16-F10 melanoma cell, indicating that the ketone group at C-3 in 3 plays an essential role in the cytotoxicity of dammarane-type triterpenoid. On the other hand, compounds 1 and 2 had very weak cytotoxic activity against the two cell lines, indicating the presence of fatty acid, significantly decreasing cytotoxic activity. This showed the significance of the discovery to investigate the essential structural feature in dammarane-type triterpenoid, specifically for the future development of anticancer drugs. [ABSTRACT FROM AUTHOR]