An update on nutritional profile, phytochemical compounds, health benefits, and potential applications in the food industry of pulses seed coats: A comprehensive …

D Hou, Q Feng, J Tang, Q Shen… - Critical Reviews in Food …, 2023 - Taylor & Francis
Pulses, as a sustainable source of nutrients, are an important choice for human diets, but
vast quantities of seed coats generated in pulses processing are usually discarded or used …

Computer-based tools for structural characterizations and activity specifications of natural products: a quick review

H Zandi, K Harismah - Lab-in-Silico, 2021 - sciengpub.ir
Natural products have been always known for their benefits for supplying food and drug for
human kind survival for whole history. Using original forms of such compounds or their …

Novel α-aminophosphonate derivates synthesis, theoretical calculation, Molecular docking, and in silico prediction of potential inhibition of SARS-CoV-2

N Chafai, O Moumeni, S Chafaa - Journal of Molecular Structure, 2023 - Elsevier
Abstract Using the Density Functional Theory approach and in silico docking, the current
study analyzes the inhibitory role of a novel α-aminophosphonate derivative against SARS …

The drug delivery of hydrea anticancer by a nanocone-oxide: computational assessments

MM Kadhim, N Sheibanian, D Ashoori, M Sadri… - Computational and …, 2022 - Elsevier
An idea of employing a carbon nanocone-oxide (ONC) for conducting the drug delivery
process of hydrea (Hyd) anticancer was investigated in this work by performing density …

Synthesis, DFT investigation, ADME-T properties, molecular docking and molecular dynamics simulation of new α-aminophosphonate inhibitor targeting Mpro and …

R Kerkour, O Moumeni, N El houda Rabhi… - Journal of Molecular …, 2024 - Elsevier
A specific α-aminophosphonate molecule, namely diethyl (phenyl (4-pyridinylamino) methyl)
phosphonate (α-DAP), as a potential SARS-CoV-2 inhibitor, has been synthesized via a …

Computational assessments of sensing functions of an oxygen-decorated silicon carbide nanocage for the adsorption of mesalazine drug

MJ Saadh, K Harismah, MC Ruiz-Balvin, M Da'i… - Computational and …, 2023 - Elsevier
Density functional theory (DFT) based computational assessments were done on sensing
functions of an oxygen-decorated silicon carbide (O-SiC) nanocage particle for the …

[PDF][PDF] In silico interactions between curcumin derivatives and monoamine oxidase-a enzyme

M Mirzaei, H Nazemi - Biointerface Research in Applied …, 2022 - biointerfaceresearch.com
Curcumin (CUR), as a natural product, has been used in food and traditional medicine for a
long time. Based on earlier works, it was supposed that CUR could work to medicate cancer …

In silico approach of novel HPPD/PDS dual target inhibitors by pharmacophore, AILDE and molecular docking

J Shi, HF Cao, CF Wang, S Gao, JY Wang… - Journal of the Taiwan …, 2023 - Elsevier
Background Phytoene dehydrogenase (PDS) and p-hydroxyphenylpyruvate dioxygenase
(HPPD) are two important herbicides targets in photosynthesis. If inhibiting the activity of …

Therapeutic implications of curcumin in the treatment of inflammatory eye diseases: A review

M Heydari, MR Khalili… - Current …, 2023 - ingentaconnect.com
Curcumin is the main active constituent of the medicinal plant Curcuma longa L., used
traditionally as a medicinal spice in several ancient civilizations. Different preclinical and …

Curcumin arrests G-quadruplex in the nuclear hyper-sensitive III1 element of c-MYC oncogene leading to apoptosis in metastatic breast cancer cells

A Roy, O Chatterjee, N Banerjee… - Journal of …, 2022 - Taylor & Francis
Abstract c-MYC is deregulated in triple negative breast cancer (TNBC) pointing to be a
promising biomarker for breast cancer treatment. Precise level of MYC expression is …