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result(s) for
"Sulaeman, Allyn P"
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From unavoidable food waste to advanced biomaterials: microfibrilated lignocellulose production by microwave-assisted hydrothermal treatment of cassava peel and almond hull
2021
Lignocellulose based nanomaterials are emerging green biosolids commonly obtained from wood pulp. Alternative feedstocks, such as as unavoidable food waste, are interesting resources for nano/microfibers. This research reports the production and characterization of microfibrillated lignocellulose (MFLC) from cassava peel (CP) and almond hull (AH) via acid-free microwave-assisted hydrothermal treatment (MHT) at different temperatures (120–220 °C). During processing, the structural changes were tracked by ATR-IR, TGA, XRD, 13C CPMAS NMR, zeta potential, HPLC, elemental analysis (CHN; carbon, hydrogen and nitrogen), TEM and SEM analyses. The microwave processing temperature and nature of feedstock exerted a significant influence on the yields and properties of the MFLCs produced. The MFLC yields from CP and AH shifted by 15–49% and 31–73%, respectively. Increasing the MHT temperature substantially affected the crystallinity index (13–66% for CP and 36–62% for AH) and thermal stability (300–374 °C for CP and 300–364 °C for AH) of the MFLCs produced. This suggested that the MFLC from CP is more fragile and brittle than that produced from AH. These phenomena influenced the gelation capabilities of the fibers. AH MFLC pretreated with ethanol at low temperature gave better film-forming capabilities, while untreated and heptane pretreated materials formed stable hydrogels at solid concentration (2% w/v). At high processing temperatures, the microfibrils were separated into elementary fibers, regardless of pretreatment or feedstock type. Given these data, this work demonstrates that the acid-free MHT processing of CP and AH is a facile method for producing MFLC with potential applications, including adsorption, packaging and the production of nanocomposites and personal care rheology modifiers.Graphic abstract
Journal Article
Cytotoxic Evaluation, Molecular Docking, Molecular Dynamics, and ADMET Prediction of Isolupalbigenin Isolated from Erythrina subumbrans (Hassk). Merr. (Fabaceae) Stem Bark: Unveiling Its Anticancer Efficacy
by
Akili, Abd Wahid Rizaldi
,
Hardianto, Ari
,
Gaffar, Shabarni
in
17β-Estradiol
,
Bioactive compounds
,
Breast cancer
2024
, 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
along with its cytotoxic activity against breast cancer (MCF-7 and T47D), and cervical cancer (HeLa) cell lines.
This study aimed to isolate secondary metabolite from the stem bark of
and evaluate its cytotoxic activity to support the use of folk medicinal plants as alternative therapy against cancer.
Isolupalbigenin was isolated from the stem bark of
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).
The cytotoxic assay showed that isolupalbigenin inhibited the growth of MCF-7 cell with an IC
of 31.62 µg∙mL
, 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).
Isolupalbigenin isolated from the stem bark of
with cytotoxic activity supports further development of plants from the genus
as a medicinal plant for alternative therapy against cancer.
Journal Article
Virtual Screening, Toxicity Evaluation and Pharmacokinetics of Erythrina Alkaloids as Acetylcholinesterase Inhibitor Candidates from Natural Products
by
Akili, Abd Wahid Rizaldi
,
Hardianto, Ari
,
Herlina, Tati
in
Acetylcholinesterase
,
acetylcholinesterase inhibitors
,
Alkaloids
2024
Alzheimer's disease (AD) is a progressive neurodegenerative disorder with limited treatment options, necessitating the development of safer and more effective therapies. The potential of alkaloids derived from the genus
as acetylcholinesterase (AChE) inhibitors is being investigated to enhance acetylcholine levels in the brain, which is crucial for the treatment of AD. The objective of this study is to identify Erythrina alkaloids with strong inhibitory capacity against AChE and favorable pharmacokinetic profiles.
A multi-step computational approach was employed, beginning with the virtual screening of 143 Erythrina alkaloid structures using molecular docking against the human AChE crystal structure. The binding affinities were compared with the known AChE inhibitor, galantamine. The top alkaloid, 8-oxoerymelanthine (
), was subjected to further analysis through molecular dynamics simulations, with the objective of evaluating its stability and interactions. In silico ADMET predictions were conducted to assess the pharmacokinetic properties. The applicability of Lipinski's Rule of Five was applied to evaluate oral drug-likeness.
8-Oxoerymelanthine (
) exhibited the highest binding affinity and remarkable stability in molecular dynamics simulations. The toxicity predictions indicated a low risk of mutagenicity, hepatotoxicity, and cardiotoxicity. Pharmacokinetic assessments indicated good absorption, moderate blood-brain barrier penetration, and favorable metabolic and excretion profiles, supporting its potential as an orally active drug candidate.
8-Oxoerythmelanthine (
) exhibits strong potential as an AChE inhibitor with a favorable balance of efficacy, safety, and pharmacokinetic properties. These results warrant further investigation in preclinical and clinical studies to validate its therapeutic potential and safety for Alzheimer's disease treatment.
Journal Article