bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical Study of the Molecular Mechanism of Maxingyigan Decoction Against COVID-19: Network Pharmacology-based Strategy
Authors: Wang Mingzhu , Fu Deyu , Yao Lei , Li Jianhua 
Published: August 2020

Aim and Objective:
Maxingyigan (MXYG) decoction is a traditional Chinese medicine
(TCM) prescription. However, how MXYG acts against coronavirus disease 2019 (COVID-19) is
not known. We investigated the active ingredients and the therapeutic targets of MXYG decoction
against COVID-19.

Methods:
A network pharmacology strategy involving drug-likeness evaluation, prediction of oral
bioavailability, network analyses, and virtual molecular docking was used to predict the
mechanism of action of MXYG against COVID-19.

Results:
Thirty-three core COVID-19-related targets were identified from 1023 gene targets
through analyses of protein–protein interactions. Eighty-six active ingredients of MXYG decoction
hit by 19 therapeutic targets were screened out by analyses of a compound–compound target
network. Via network topology, three “hub” gene targets (interleukin (IL-6), caspase-3, IL-4) and
three key components (quercetin, formononetin, luteolin) were recognized and verified by
molecular docking. Compared with control compounds (ribavirin, arbidol), the docking score of
quercetin to the IL-6 receptor was highest, with a score of 5. Furthermore, the scores of three key
components to SARS-CoV-2 are large as 4, 5, and 5, respectively, which are even better than those
of ribavirin at 3. Bioinformatics analyses revealed that MXYG could prevent and treat COVID-19
through anti-inflammatory and immunity-based actions involving activation of T cells,
lymphocytes, and leukocytes, as well as cytokine–cytokine-receptor interaction, and chemokine
signaling pathways.

Conclusion:
The hub genes of COVID-19 helped to reveal the underlying pathogenesis and
therapeutic targets of COVID-19. This study represents the first report on the molecular
mechanism of MXYG decoction against COVID-19.
Evaluation of Microbiological Contamination of Dummies Used in Cardiopulmonary Resuscitation in Korea
Authors: Cho Seung-Hak , Kim Jung-Beom , Kim Cheorl-Ho , Bak Young-Seok 
Published: August 2020

Objectives:
In order to prevent infections through dummies used during Cardiopulmonary
Resuscitation (CPR) training, we analyzed the microbiological contamination on dummies used in CPR
institutions.

Methods:
A total of 31 dummy samples were collected from 13 different institutions in Korea, and
were evaluated for the number of contaminating bacteria and fungi on the surface. PCR and biochemical
tests were performed to identify pathogenic bacteria and fungi, including Methicillin-Resistant
Staphylococcus aureus (MRSA). Moreover, we further assessed the survival rate of microorganisms on
the surface of the dummies.

Results:
We assessed the total number of microorganisms on the surface to be 77,752CFU/cm2
(±50,047CFU), which is up to 188 times higher than the required surface contamination level. Grampositive
cocci such as Micrococcus spp. and Staphylococcus spp. accounted for the highest proportion
(55.3%). Especially, we detected three MRSA strains. Considering the isolated fungi and yeast, Aspergillus
spp. and Candidia spp. accounted for the highest proportion. Assessing the contamination level
simulation and survival rate on the humanoid surface showed that within two weeks of training, the
level of contamination on the dummy’s surface exceeded the standard, and artificially contaminated
pathogenic strains on the surface of the dummy survived for at least 40 days.

Conclusion:
To minimize the possibility of secondary infections during CPR training, there is a requirement
for a standardized protocol for proper microbiological management of dummies.
Comparative Inhibitory Efficacy on the iNOS/NO System of Curcuminand Tetrahydrocurcumin-Self-Microemulsifying Liquid Formulation in Chronic Gastric Ulcer Model
Authors: Mahattanadul Sirima , Kongpuckdee Sonsawan , Wiwattanapatapee Ruedeekorn , Tansakul Pimpimon , Nitiruangjaras Anupong , Hansakul Pintusorn 
Published: August 2020

Background:Curcumin was found to accelerate gastric ulcer healing by the main mechanism, i.e., the suppression of iNOS mediated inflammation. Although Tetrahydrocurcumin (THC) is claimed to be an active antioxidant element of curcumin, its antiulcer activity has not been systematically examined. The utility of Self-Microemulsifying Drug Delivery Systems (SMEDDSs) for curcumin and THC formulations in the liquid form was also found to increase the rate and extent of release of curcumin- and THC-SMEDDS. Nevertheless, the beneficial antiulcer effect of these nanoproducts has not yet been evaluated.Objective:This study aimed to evaluate and compare the antiulcer efficacy of curcumin- and THCSMEDDS through the inhibition of the iNOS/NO system in the rat model.Methods:Antiulcer efficacy was compared in terms of the ability to accelerate healing of gastric ulcer including the efficient inhibitory action on inflammatory NO production in activated macrophages and iNOS mRNA expression at the ulcerated area.Results:THC was found to have less ulcer healing capacity than curcumin with a lack of significant inhibitory effect on the iNOS/NO system. The SMEDDS used in the study significantly increased the inhibitory efficacy of THC on iNOS/NO production and iNOS mRNA expression compared to the inhibitory potency of curcumin. An oral administration of curcumin- or THC-SMEDDS once a day was appropriate for exerting a comparable curative efficacy to a twice-daily oral administration of curcumin or THC.Conclusion:The SMEDDS used in the study was observed to enhance the inhibitory efficacy of the antiulcer drug on the iNOS/NO system, leading to a reduction of daily dosing and dosing frequency.
LC-MS/MS Determination of Apigenin in Rat Plasma and Application to Pharmacokinetic Study
Authors: Zhu Shixing , Zhang Jiayuan , Lv Zhihua , Yu Mingming 
Published: August 2020

Background:
Apigenin, a natural plant flavone, has been shown to possess a variety of biological
properties.

Objective:
In this report, a highly selective and sensitive LC-MS/MS method was developed and validated
for the determination of apigenin in rat plasma.

Methods:
Analysts were separated on the HSS T3 column (1.8 μm 2.1×100 mm) using acetonitrile and
0.1% formic acid in 2mM ammonium acetate buffer at a supply rate of 0.200 mL/min as eluent in gradient
model.

Results:
Plasma samples were treated by protein precipitation using acetonitrile for the recovery ranging
from 86.5% to 90.1% for apigenin. The calibration curves followed linearity in the concentration
range of 0.50-500ng/mL. The inter-day and intra-day precisions at different QC levels within 13.1%
and the accuracies ranged from -10.6% to 8.6%.

Conclusion:
The assay has been successfully applied to the pharmacokinetic study of apigenin in rats.
Understanding the Obstacles to Uptake of Intervention Programmes and Services for Persons with Dementia
Authors: Lien Ha N.H. , Koh Emily J. , Yap Philip L.K. 
Published: August 2020

Background:
Utilisation of intervention programmes and services for Persons with Dementia
(PWD) has been generally modest despite the growing numbers. One reason has been the lack of
knowledge about dementia and information on such services.

Objective:
We sought to close this gap by providing caregivers with an information session about
dementia and the importance and availability of related services. We explored the uptake of intervention
programmes and services and reasons for non-uptake thereafter.

Methods:
Two hundred and seventy-five PWD and caregiver dyads attended the Dyad Education and
Empowerment Programme (DEEP). At the DEEP, while caregivers underwent an information session,
PWD were assessed by a multidisciplinary team on their need and suitability for programmes and
services such as daycare, cognitive engagement programmes and physical rehabilitation. The dyads then
received individualized recommendations on the appropriate services, if any. Follow-up through medical
records review and phone calls was conducted one month after DEEP to ascertain if the dyads had acted
upon the recommendations and if not, what difficulties they encountered.

Results:
One hundred and eleven PWD received recommendations, of which 40 (36.0%) agreed and
enrolled in the services while 71 (64%) declined. Thematic analysis of the reasons for non-uptake
revealed 3 themes: PWD-related factors (e.g., refusal, functional improvement or decline), caregiverrelated
factors (adequacy of care at home, other care arrangements), and service-related factors (e.g.,
cost, timing).

Conclusion:
Despite adequate information, there are other reasons for non-uptake of dementia- related
services, some of which should be addressed to improve service updates and to provide better care for
PWD.
Insights into Machine Learning-based Approaches for Virtual Screening in Drug Discovery: Existing Strategies and Streamlining Through FP-CADD
Authors: Hussain Waqar , Rasool Nouman , Khan Yaser Daanial 
Published: August 2020

Background:Machine learning is an active area of research in computer science by the availability of big data collection of all sorts prompting interest in the development of novel tools for data mining. Machine learning methods have wide applications in computer-aided drug discovery methods. Most incredible approaches to machine learning are used in drug designing, which further aid the process of biological modelling in drug discovery. Mainly, two main categories are present which are Ligand-Based Virtual Screening (LBVS) and Structure-Based Virtual Screening (SBVS), however, the machine learning approaches fall mostly in the category of LBVS.Objectives:This study exposits the major machine learning approaches being used in LBVS. Moreover, we have introduced a protocol named FP-CADD which depicts a 4-steps rule of thumb for drug discovery, the four protocols of computer-aided drug discovery (FP-CADD). Various important aspects along with SWOT analysis of FP-CADD are also discussed in this article.Conclusions:By this thorough study, we have observed that in LBVS algorithms, Support vector machines (SVM) and Random forest (RF) are those which are widely used due to high accuracy and efficiency. These virtual screening approaches have the potential to revolutionize the drug designing field. Also, we believe that the process flow presented in this study, named FP-CADD, can streamline the whole process of computer-aided drug discovery. By adopting this rule, the studies related to drug discovery can be made homogeneous and this protocol can also be considered as an evaluation criterion in the peer-review process of research articles.
In Silico Evaluation of Various Signal Peptides to Improve Secretion of Humulin Protein in E. coli Host
Authors: Kavousipour Soudabe , Barazesh Mahadi , Mohammadi Shiva , Abdollahpour- Alitappeh Meghdad , Fallahi Shirzad , Shakarami Amir , Hajmohammadi Zeynab 
Published: August 2020

Background:
Escherichia coli host has been the workhorse for the production of heterologous
proteins due to simplicity of use, low cost, availability of various expression vectors, and a
plethora of knowledge on its genetic characteristics, but without a suitable signal sequence, this
host cannot be used for the production of secretory proteins. Humulin is a form of insulin used to
treat hyperglycemia caused by types 1 and 2 diabetes. To improve expression and make a straightforward
production of Humulin protein, we chose a series of signal peptides.

Objective:
The aim of this study was to predict the most excellent signal peptides to express secretory
Humulin in E. coli organism.

Methods:
Therefore, to forecast the most excellent signal peptides for expression of Humulin in
Escherichia coli, 47 signal sequences from bacteria organisms were elected and the most imperative
elements of them were studied. Hence, signal peptide probability along with physicochemical
features was evaluated by signal 4.1, and Portparam, PROSO II servers respectively. Later, the in-
-silico cloning in a known pET28a plasmid system also estimated the possibility of best signal peptide+
Humulin expression in E. coli.

Results:
The outcomes demonstrated that among 47 signal peptides only 2 signal peptides can be
considered as suitable signal peptides.

Conclusion:
Ultimately protein yebF precursor (YEBF_ECOLI) and protein yebF precursor
(YEBF_YERP3) were suggested as the most excellent signal peptides to express Humulin (With D
scores 0.812 and 0.623, respectively). Although verification of these results warrants experimental
analysis.
BCl3 Catalyzed, Solvent Free Protocol for the Synthesis of Dihydropyrano[ 3,2-b] Chromenediones
Authors: Suryawanshi Vikas B. , Momin Kalimoddin I. , Dawle Jairaj K. , Mathapati Sushil R. 
Published: August 2020

:
Solvent free synthesis of dihydropyrano[3,2-b]chromenediones was formulated via multicomponent
reactions of kojic acid, dimedone and several substituted aromatic aldehydes catalyzed with
BCl3. Reactions progressed efficiently and the corresponding heterocyclic products were obtained in
good to high yields within short period. The developed protocol is one of the better and efficient alternative
methods for the synthesis of dihydropyrano[3,2-b]chromenediones. The simple reaction procedure,
easy separation of products, radially available catalyst are certain benefits of this reported protocol.
Fatty Acids Recommendations: Controversies and Updates
Authors: Abdelhadi Nadine N. , Ahmad Mousa N. 
Published: August 2020

Background:
The reduction in the intake of dietary fat has traditionally been the cornerstone
of dietary recommendations of many of the leading health organizations as a key measure to
prevent cardiometabolic diseases. However, dietary fat recommendations are sometimes contrasting.
In addition, many consumers and food manufacturers are still confused about the effects of fatty
acids on coronary heart disease after decades of focus on the low-fat diet.

Objectives:
To provide an overview of the recently available evidence on the effect of fatty acids
on cardiometabolic risk and the various dietary recommendations related to reducing fat in the diet.
It will also highlight the effect of the isocaloric substitution of fat by other macronutrients.

Methodology:
The Cochrane Central Register of Controlled Trials, PubMed, Medline, Clinical
trials.gov, Google Scholar, Science Direct, ADI, and WHO database were searched through to
March 2020.

Results:
Recent evidence demonstrates that higher dietary intakes of saturated fatty acids are associated
with an increased risk of coronary heart disease which is consistent with the previous scientific
evidence. In addition, recent findings indicate that replacing total saturated fatty acids with polyunsaturated
fatty acids, monosaturated fatty acids and high-quality carbohydrates reduces cardiometabolic
risk.

Conclusion:
Higher dietary intakes of saturated fatty acids are associated with an increased coronary
heart disease risk. Recent scientific evidence highlights the importance of replacing total saturated
fat with more healthy alternatives including polyunsaturated fatty acids, monosaturated fatty
acids, and high-quality carbohydrates which is consistent with the latest recommendations of the
updated guidelines.
Integrated Quality by Design (QbD) Approach for Stability Indicating RPHPLC Method for the Estimation of Tadalafil Hydrochloride in Bulk Drug and Pharmaceutical Formulations
Authors: Patil Prajakta H. , Gurupadayya Bannimath , Hamrapurkar Poornima 
Published: August 2020

Background:
In view of the current FDA standardization and product quality control criteria,
Quality by design approach for analytical methods is gaining importance to develop a robust analytical
method. A new Quality by Design approach by RP-HPLC was developed and validated for the
quantification and purification of Tadalafil hydrochloride and its tablet formulations.

Objective:
The objective of the study was to develop and validate a simple, robust, and accurate method by QbD approach
for detection Tadalafil hydrochloride and its degradation products in bulk drug and tablet formulation.

Methods:
The chromatographic separation was performed on JASCO Crest Pack RPC18 column
(250mm×4.6mm, 5μm) with mobile phase A consisting of a mixture of Acetonitrile: Methanol (40:20
v/v); and mobile phase B: 0.01M Ammonium acetate in water pH adjusted to 3.50± 0.05 with glacial
acetic acid with 1.0ml/min flow rate at 285nm. Box-Behnken's three-level, 3-factorial design was employed
to create and analyze a "Design Space" (DoE). This design was statistically analyzed by ANOVA,
counter-plot, and 3D response surfaces plots, which demonstrated that the model was statistically
significant. The developed method was validated as per the ICH guidelines Q2 (R1).

Results and Discussion:
The tadalafil hydrochloride showed good regression (R2>0.9995) within tested
ranges, and the percent recovery was found to be 98% in the marketed formulation.

Conclusion:
The method was found to be highly specific without the interference of impurities and degradation products
of tadalafil hydrochloride. For quantification and routine quality control of tadalafil and its marketed formulation, the
stability-indicating the RP-HPLC method could thus be extended.
Elaboration and Validation of HPLC/DAD Method for Quality Control of Products Containing Cannabidiol
Authors: Andonova Lily , Ivanov Ervin , Pencheva Ivanka , Konstantinov Spiro 
Published: August 2020

Background:
Cannabidiol (CBD) is the main, physiologically active, but psycho-inactive
constituent of the glandular hairs of Cannabis sativa. CBD exhibits diverse pharmacological activities
and it is used as an anticonvulsant, sedative and hypnotic agent. Other biological properties shown by
CBD are antipsychotic, anti-inflammatory and neuroprotective.

Objective:
The aim of this study is to develop, validate and apply high performance liquid chromatography
(HPLC/DAD) method with diode array detection for identification and assay of CBD in food
supplements obtained by different types of extraction and purification.

Method:
HPLC method with isocratic elution using column C18 ODS, 250 x 4.6, 100 Å, 5 μm, mobile
phase - a mixture of acetonitrile and water in ratio 80:20 v/v, a flow rate of 1.0 ml/min and DAD detection
at 220 nm, was used.

Results:
The method was developed and validated according to European Pharmacopoeia and International
Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use
(ICH). For the analytical purposes, parameters like repeatability, linearity, accuracy, LOD, LOQ, specificity
and system suitability were studied. The developed method was successfully applied on a series
of food supplements containing CBD.

Conclusion:
The developed method is of practical importance for the determination of purity, identification
and assay tests of food supplements containing CBD extract in accordance with EU regulation
concerning food authorizations because it is useful for analytical tests for identification, purity determination
and assay of products containing CBD extract and could serve as part of the testing process in
the pharmaceutical industry.
Thymoquinone Inhibits Proliferation and Migration of MDA-MB-231 Triple Negative Breast Cancer Cells by Suppressing Autophagy, Beclin-1 and LC3
Authors: Ünal Tuba D. , Hamurcu Zuhal , Delibaşı Nesrin , Çınar Venhar , Güler Ahsen , Gökçe Sevda , Nurdinov Nursultan , Ozpolat Bulent 
Published: August 2020

Background:Triple Negative Breast Cancer (TNBC) is an aggressive and highly heterogeneous subtype of breast cancer associated with poor prognosis. A better understanding of the biology of this complex cancer is needed to develop novel therapeutic strategies for the improvement of patient survival. We have previously demonstrated that Thymoquinone (TQ), the major phenolic compound found in Nigella sativa, induces anti-proliferative and anti-metastatic effects and inhibits in vivo tumor growth in orthotopic TNBC models in mice. Also, we have previously shown that Beclin-1 and LC3 autophagy genes contributes to TNBC cell proliferation, migration and invasion, suggesting that Beclin-1 and LC3 genes provide proto-oncogenic effects in TNBC. However, the role of Beclin-1 and LC3 in mediating TQ-induced anti-tumor effects in TNBC is not known.Objective:To investigate the effects of TQ on the major autophagy mediators, Beclin-1 and LC3 expression, as well as autophagic activity in TNBC cells.Methods:Cell proliferation, colony formation, migration and autophagy activity were evaluated using MTS cell viability, colony formation assay, wound healing and acridine orange staining assays, respectively. Western blotting and RT-PCR assays were used to investigate LC3 and Beclin-1 protein and gene expressions, respectively, in MDA-MB-231 TNBC cells in response to TQ treatments.Results:TQ treatment significantly inhibited cell proliferation, colony formation, migration and autophagic activity of MDA-MB-231 cells and suppressed LC3 and Beclin-1 expressions. Furthermore, TQ treatment led to the inhibition of Integrin-β1, VEGF, MMP-2 and MMP-9 in TNBC cells.Conclusion:TQ inhibits autophagic activity and expression of Beclin-1 and LC3 in TNBC cells and suppresses pathways related to cell migration/invasion and angiogenesis, including Integrin-β1, VEGF, MMP-2 and MMP- 9, suggesting that TQ may be used to control autophagic activity and oncogenic signaling in TNBC.
Stability and Thermal Conductivity of Tri-hybrid Nanofluids for High Concentration in Water-ethylene Glycol (60:40)
Authors: Ramadhan Anwar I. , Azmi Wan H. , Mamat Rizalman 
Published: August 2020

Background:
Research has been focused on improving the thermal properties of single
nanofluid components for recent years. Therefore, hybrid nanofluids or composites have been developed
to improve heat transfer performance. Stability and thermal conductivity of Al2O3-TiO2-
SiO2 nanoparticles are suspended in the fluid base of water (W) and ethylene glycol (EG) mixture
with volume ratio of 60:40.

Methods:
Experiments were tri-hybrid nanofluid stability was investigated for volume concentration
of 0.5 ~ 3.0%, and temperature conditions from 30 to 70°C for thermal conductivity measurements
using a KD2 Pro Thermal Properties Analyzer. The experimental results show that the
tri-hybrid nanofluid stability analysis was performed using a stable UV-Vis method for up to 30
days after preparation with 10 hour sonication time.

Results:
Comparison of data concentration ratios with sedimentation for single, hybrid, and trihybrid
nanofluids yielding a stable tri-hybrid nanofluid with 80-90% value. Evaluation of zeta potential
for tri-hybrid nanofluids yielded 63.72 mV in excellent stability classification. Sedimentation
of this visual observation is influenced by the gravity of the movement of particles in the tube
after 30 days.

Conclusion:
The highest thermal conductivity for tri-hybrid nanofluids was obtained at 3.0% and a
maximum increase of up to 27% higher than that of the basic fluid (EG/W). Tri-hybrid nanofluids
with a concentration of 0.5% gave the lowest effective thermal conductivity of 13.4% at 70°C.