Oliver Tusevski^1,*, Marija Todorovska¹, Jasmina Petreska Stanoeva², Marina Stefova², Sonja Gadzovska Simic¹

Phyton-International Journal of Experimental Botany, Vol.92, No.3, pp. 921-941, 2023, DOI:10.32604/phyton.2023.024995 - 29 November 2022

Abstract Three Hypericum perforatum hairy root lines (HR B, HR F and HR H) along with non-transformed roots were analyzed for phenolic compounds composition and in vitro enzyme inhibitory properties. In silico molecular modeling was performed to predict the interactions of the most representative phenolic compounds in HR clones with enzymes related to depression, neurodegeneration and diabetes. Chromatographic analyses revealed that HR clones represent an efficient source of quinic acid and hydroxybenzoic acids, epicatechin and procyanidin derivatives, quercetin and kaempferol glycosides, as well numerous xanthones. In vitro antidepressant activity of HR extracts through monoamine oxidase A (MAO-A) inhibition was attributed… More >

Sunil Kumar Suryawanshi¹, Usha Chouhan², Jyoti Kant Choudhari^2,*

Molecular & Cellular Biomechanics, Vol.19, No.4, pp. 191-208, 2022, DOI:10.32604/mcb.2022.023911 - 27 December 2022

Abstract Cancer is the second biggest cause of death globally, and the use of therapeutic peptides to specifically target and destroy cancer cells has gotten much interest. Cancer peptides or vaccinations are utilized to treat cancer nowadays, apart from chemotherapy, which has significant discomfort, side effects and costly. It is time demanding to identify and predict potential anticancer peptides using computational biology approaches. Thus, 3-D molecular modeling is being used to find possible ACP candidates. In this research, Curcuma longa has predicted peptide sequences were docked on breast cancer receptors and used a molecular docking technique to… More >

Rong Zeng^1,#, Lin Liu^1,2,#, Jingshan Zhao^1,2,3,#, Wenmei Zhang³, Guohong Zhang¹, Yunfeng Li^1,2,*

Oncologie, Vol.24, No.3, pp. 483-498, 2022, DOI:10.32604/oncologie.2022.025148 - 19 September 2022

Abstract Background: Breast cancer (BC) is the most frequent type of gynecology tumors with high morbidity and mortality. Ampelopsin, the main active compound of Ampelopsis grossedentata, exerts an anti-tumor effect on a variety of cancers. However, the anti-cancer role of ampelopsin in BC remains unclear. The aim of this study is to explore the mechanism of ampelopsin against breast cancer. Materials and Methods: The target genes of ampelopsin in the treatment of breast cancer were determined and analyzed by network pharmacology and molecular docking. Cytoscape software was used to identify the core target genes and construct a protein–protein interaction… More >

RAHAT ALI¹, AFTAB ALAM², SATYENDRA K. RAJPUT³, RAZI AHMAD^4,*

BIOCELL, Vol.46, No.12, pp. 2681-2694, 2022, DOI:10.32604/biocell.2022.021224 - 10 August 2022

Abstract Parkinson’s disease (PD) is an age-related neurodegenerative ailment that affects dopamine-producing neurons in a specific area of the brain called the substantia nigra of the ventral midbrain. It is clinically characterized by movement disorder and marked with unusual synaptic protein alpha-synuclein accumulation in the brain. To date, only a few Food and Drug Administration (FDA) approved drugs are available on the market for the treatment of PD. Nonetheless, these drugs show parasympathomimetic related adverse events and remarkably higher toxicity; hence, it is important to find more efficacious molecules to treat PD. In our study, We… More >

Phan Nguyen Ky Phuc¹, Nguyen Van Thanh^2,*, Duong Bao Tram¹

CMC-Computers, Materials & Continua, Vol.72, No.3, pp. 5165-5178, 2022, DOI:10.32604/cmc.2022.027967 - 21 April 2022

Abstract The cross-docking is a very important subject in logistics and supply chain managements. According to the definition, cross-docking is a process dealing with transhipping inventory, in which goods and products are unloaded from an inbound truck and process through a flow-center to be directly loaded onto an outbound truck. Cross-docking is favored due to its advantages in reducing the material handing cost, the needs to store the product in warehouse, as well decreasing the labor cost by eliminating packaging, storing, pick-location and order picking. In cross-docking, products can be consolidated and transported as a full… More >

Nada M. Mostafa^1,5,#, Muhammad I. Ismail^2,#, Amr M. El-Araby³, Dina M. Bahgat¹, Ahmed M. Elissawy^1,5, Ahmed M. Mostafa⁴, Omayma A. Eldahshan^1,5,*, Abdel Nasser B. Singab^1,5,*

Phyton-International Journal of Experimental Botany, Vol.91, No.5, pp. 1089-1104, 2022, DOI:10.32604/phyton.2022.018239 - 24 January 2022

Abstract Coronaviruses caused an outbreak pandemic disease characterized by a severe acute respiratory distress syndrome leading to the infection of more than 200 million patients and the death of more than 4 million individuals. The primary treatment is either supportive or symptomatic. Natural products have an important role in the development of various drugs. Thus, screening of natural compounds with reported antiviral activities can lead to the discovery of potential inhibitory entities against coronaviruses. In the current study, an in-silico molecular docking experiment was conducted on the effects of some of these natural antiviral phytoconstituents, (e.g.,… More >

HAN ZHAO¹, JING GUO¹, QINGJIA CHI², MENG FANG^1,*

BIOCELL, Vol.46, No.5, pp. 1245-1259, 2022, DOI:10.32604/biocell.2022.018117 - 06 January 2022

Abstract Hepatocellular carcinoma (HCC) is a worldwide malignant tumor that caused irreversible consequences. Tanshinone IIA has been shown to play a notable role in HCC treatment. However, the potential targets and associating mechanism of Tanshinone IIA against HCC remain unknown. We first screened out 105 overlapping genes by integrating the predicted targets of Tanshinone IIA from multiple databases and the differentially expressed genes of HCC from the Cancer Genome Atlas (TCGA) database. Then, we performed weighted gene co-expression network analysis (WGCNA) using the RNA-seq profiles of overlapping genes and HCC-related clinical information. 23 genes related to… More >

HASSAN M. OTIFI¹, MISHARI ALSHYARBA², MAJED AL FAYI^3,4, AYED A. DERA^3,4, PRASANNA RAJAGOPALAN^3,4,*

Oncology Research, Vol.29, No.3, pp. 217-227, 2021, DOI:10.32604/or.2022.03570 - 01 August 2022

Abstract Targeted therapies are gaining global attention to tackle Renal Cancer (RC). This study aims to screen FPMXY- 14 (novel arylidene analogue) for Akt inhibition by computational and in vitro methods. FPMXY-14 was subjected to proton NMR analysis and Mass spectrum analysis. Vero, HEK-293, Caki-1, and A498 cell lines were used. Akt enzyme inhibition was studied with the fluorescent-based kit assay. Modeller 9.19, Schrodinger 2018-1, LigPrep module, and Glide docking were used in computational analysis. The nuclear status was assessed by PI/Hoechst- 333258 staining, cell cycle, and apoptosis assays were performed using flow cytometry. Scratch wound and… More >

Xuehua Luo^1,#, Huijun Xie^2,#, Li Han¹, Qiaoming Zhong³, Meng Xu^4,*, Ling Jin^1,*

Oncologie, Vol.23, No.3, pp. 425-438, 2021, DOI:10.32604/Oncologie.2021.017267 - 26 September 2021

Abstract Tetrandrine has a variety of anti-tumor effects including against or reversal of tumor chemoresistance, but its mechanism of against tumor chemoresistance is still unclear. Therefore, the analytical method of network pharmacology and molecular docking was used to investigate the mechanism by which tetrandrine acts in tumor chemoresistance. We used public databases (PubChem, SwissADEM, SwissTargetPrediction) to obtain the physicochemical information and targets of tetrandrine, and used gene databases (GeneCards and OMIM) to collected disease targets, respectively. The intersection targets of disease and drug were analyzed by RStudio. We built protein-protein interaction network through the STRING database,… More >

FAZLUR RAHMAN^1,#, SHAMS TABREZ^1,#, RAHAT ALI¹, SAJJADUL KADIR AKAND¹, MOHAMMED A. ALAIDAROUS^2,3, MOHAMMED ALSAWEED², BADER MOHAMMED ALSHEHRI², SAEED BANAWAS^2,3, ABDUR RUB^1,*, ABDUL AZIZ BIN DUKHYIL^2,*

BIOCELL, Vol.45, No.6, pp. 1601-1610, 2021, DOI:10.32604/biocell.2021.016682 - 01 September 2021

Abstract Leishmaniasis is a vector-borne parasitic neglected tropical disease caused by a group of about 30 different species of the genus Leishmania. It is transmitted by the bite of female phlebotomies sand fly. Three main clinical manifestations of leishmaniasis include cutaneous, visceral, and mucocutaneous leishmaniasis. Visceral leishmaniasis (VL) caused by Leishmania donovani, is an infection of reticuloendothelial system and fatal if untreated. Cholesterol, a sterol that is prominent in the mammalian cell membranes whereas stigmasterol and ergosterol are more prevalent in plants, yeast, and protozoa, respectively. Ergosterols which is absent in human being, is an important constituent of… More >