bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and 4D-QSAR Studies of Alanine Hydroxamic Acid Derivatives as Aminopeptidase N Inhibitors
Authors: Gao Min , Lv QiaoLi , Zhang HouPan , Tu GuoGang 
Published: December 2019

Background:
As a target for anticancer treatment, aminopeptidase N (APN) shows its
overexpression on diverse malignant tumor cells and associates with cancer invasion, angiogenesis
and metastasis.

Objective:
The objective of the study was the design, synthesis and biological activity evaluation
of alanine hydroxamic acid derivatives as APN inhibitors, and investigation of the binding mode
of inhibitors in the APN active site.

Methods:
Alanine hydroxamic acid derivatives were synthesized and evaluated for their in vitro
anti-cancer activity using CCK-8 assay. Molecular docking and 4D-QSAR studies were carried out
to suggest the mechanism of biological activity.

Results:
Compared with Bestatin, compound 9b showed the best APN inhibition activity. The putative
binding mode of 9b in the APN active site was also discussed. Moreover, the robust and reliable
4D-QSAR model exhibited the following statistics: R2 = 0.9352, q2
LOO = 0.8484, q2
LNO
=0.7920, R2
Pred = 0.8739.

Conclusion:
Newly synthesized compounds exerted acceptable anticancer activity and further
investigation of the current scaffold would be beneficial.
Prospects for Discovering the Secondary Metabolites of Cordyceps Sensu Lato by the Integrated Strategy
Authors: Bibi Shabana , Wang Yuan-Bing , Tang De-Xiang , Kamal Mohammad Amjad , Yu Hong 
Published: December 2019

:
Some species of Cordyceps sensu lato are famous Chinese herbs with
significant biological activities, often used as edible food and traditional medicine in China.
Cordyceps represents the largest entomopathogenic group of fungi, including 40 genera and 1339
species in three families and incertae sedis of Hypocreales.

Objective:
Most of the Cordyceps-derivatives have been approved clinically for the treatment of
various diseases such as diabetes, cancers, inflammation, cardiovascular, renal and neurological
disorders and are used worldwide as supplements and herbal drugs, but there is still need for
highly efficient Cordyceps-derived drugs for fatal diseases with approval of the U.S. Food and
Drug Administration.

Methods:
Computer-aided drug design concepts could improve the discovery of putative Cordyceps-
derived medicine within less time and low budget. The integration of computer-aided drug
design methods with experimental validation has contributed to the successful discovery of novel
drugs.

Results:
This review focused on modern taxonomy, active metabolites, and modern drug design
techniques that could accelerate conventional drug design and discovery of Cordyceps s. l. Successful
application of computer-aided drug design methods in Cordyceps research has been discussed.

Conclusion:
It has been concluded that computer-aided drug design techniques could influence the
multiple target-focused drug design, because each metabolite of Cordyceps has shown significant
activities for the various diseases with very few or no side effects.
Design, Synthesis, and Biological Evaluation of 4-amino Substituted 2Hchromen- 2-one Derivatives as an NEDD8 Activating Enzyme Inhibitor in Pancreatic Cancer Cells
Authors: Zhu Lijuan , Lu Peng , Gong Lei , Lu Cheng , Li Mengli , Wang Yubin 
Published: December 2019

Background:
NEDD8 activating enzyme (NAE) plays a critical role in various cellular
functions in carcinomas. The selective inhibition of NAE could mediate the rate of ubiquitination
and the subsequent degradation of proteins associated with cancer so as to achieve the purpose of
treatment.

Objective:
In this article, we decided to study the synthesis and screening of 4-amino substituted
2H-chromen-2-one derivatives against cancer cell lines, specifically the human pancreatic cancer
cell line BxPC-3.

Methods:
After synthesis of twenty targeted compounds, we evaluated their anti-proliferative activity
against six cancer cell lines, cytotoxicity against three normal cell lines through MTT assay,
and hemolysis to screen out the candidate compound, which was further conducted drug-like
physical property measurement, target confirmation by enzyme-based experiment, cell apoptosis,
and synergistic effect research.

Results:
Starting from intermediates 4 and 5, several new 4-amino substituted 2H-chromen-2-one
derivatives (9-28) were synthesized and evaluated for their cell activities using six cancer cell
lines. We performed tests of cytotoxicity, hemolysis, ATP-dependent NAE inhibition in the enzyme-
based system, apoptosis, and synergistic effect in BxPC-3 cells against the best candidate
compound 21.

Conclusion:
Based on these results, we found that compound 21 inhibited NAE activity in an
ATP-dependent manner in the enzyme-based system, induced apoptosis in BxPC-3 cells, and synergized
with bortezomib on BxPC-3 cell growth inhibition. Additionally, it had low toxicity with
reasonable Log P-value and water solubility.
Antidiabetic Activity of Dihydropyrimidine Scaffolds and Structural Insight by Single Crystal X-ray Studies
Authors: Bairagi Keshab M. , Younis Nancy S. , Emeka Promise M. , Sangtani Ekta , Gonnade Rajesh G. , Venugopala Katharigatta N. , Alwassil Osama I. , Khalil Hany E. , Nayak Susanta K. 
Published: December 2019

Background:
This research project is designed to identify the anti-diabetic effects of the
newly synthesized compounds to conclude the perspective of consuming one or more of these new
synthetic compounds for diabetes management.

Introduction:
A series of dihydropyrimidine (DHPM) derivative bearing electron releasing and
electron-withdrawing substituent’s on phenyl ring (a-j) were synthesized and screened for antihyperglycemic(
anti-diabetic) activity on streptozotocin (STZ) induced diabetic rat model. The
newly synthesized compounds were characterized by using FT-IR, melting point, 1H and 13C NMR
analysis. The crystal structure and supramolecular features were analyzed through single-crystal
X-ray study. Anti-diabetic activity testing of newly prepared DHPM scaffolds was mainly based
on their relative substituent on the phenyl ring along with urea and thiourea. Among the synthesized
DHPM scaffold, the test compound c having chlorine group on phenyl ring at the ortho position
to the hydropyrimidine ring with urea and methyl acetoacetate derivative shows moderate
lowering of glucose level. However, the title compounds methyl 4-(4-hydroxy-3-methoxyphenyl)-
6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate(g) and ethyl 4-(3-ethoxy-4-
hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate(h) having methoxy
and ethoxy substituents on phenyl ring show significant hypoglycemic activity compared to the
remaining compounds from the Scheme 1.

Methods:
The experimental rat models for the study were divided into 13 groups (n = 10); group 1
animals were treated with 0.5% CMC (0.5mL) (vehicle); group 2 were considered the streptozotocin
(STZ)/nicotinamide diabetic control group (DC) and untreated, group 3 diabetic animals were
administered with gliclazide 50 mg/kg and act as a reference drug group. The remaining groups of
the diabetic animals were administered with the newly synthesized dihydropyrimidine compounds
in a single dose of 50 mg/kg orally using the oral gavage, daily for 7 days continuously. The
blood glucose level was measured before and 72 hrs after nicotinamide-STZ injection, for confirmation
of hyperglycemia and type 2 diabetes development.

Results:
Blood glucose levels were significantly (p<0.05) reduced after treatment with these derivatives.
The mean percentage reduction for gliclazide was 50%, while that of synthesized compounds
were approximately 36%.

Conclusion:
Our result suggests that the synthesized new DHPM derivative containing alkoxy
group on the phenyl ring shows a significant lowering of glucose level compared to other derivatives.
Antimicrobial Effect of Quercus robur L. Leaves Selective Extracts from the Mezi Mountain of Djeniene Bourezg (West of Algeria)
Authors: Benyagoub Elhassan , Nabbou Nouria , Dine Amal 
Published: December 2019

Background:
Algeria, by its vast terrestrial extent and its climatic variation, has an abundant,
rich and varied flora in which it was counted many aromatic and medicinal species that provide bioactive
compounds characterized by their broad biological activities. In this context, this work is based on
the evaluation of the antimicrobial activity of Quercus robur L. leaves extracts (Family of Fagaceae).

Methods:
Firstly, the collected plant material was defatted; then, the extraction of tannins and saponins
was carried out according to a standard protocol where the extracts obtained were tested on some uropathogenic
microbial strains by disk diffusion method with the determination of the Minimum Inhibitory
Concentrations (MICs) by broth macro-dilution method.

Results:
The extraction yield of the selective extracts was 7.93 and 16.94% for tannins and saponins,
respectively. The antibiotic resistance profile of the tested strains showed a resistance relatively important
to several antibiotics, namely amoxicillin +clavulanic acid and ampicillin for Escherichia coli,
while Pseudomonas aeruginosa showed resistance to amoxicillin+clavulanic acid, amikacin, cefotaxime
and ceftazidime. However, Staphylococcus aureus was susceptible to penicillin, gentamicin, ofloxacin
and chloramphenicol. Antifungal susceptibility testing has been shown that Candida albicans was susceptible
to amphotericin B, econazole and it was clinically categorized as intermediate to miconazole
drug. For antimicrobial tests, the tannins and saponins extracts exhibited a low to strong inhibitory effect
at tested concentrations lower than 30 mg/mL (ranged from no inhibition to an inhibition zone diameter
of 17.5 mm), depending on dose levels and tested microbial strains.

Conclusion:
This activity is proportional to the tested concentrations, knowing that tannins extract was
more active compared to saponins extract. For this, Q. robur could constitute an important source for
drug discovery.
Petra/Osiris/Molinspiration and Molecular Docking Analyses of 3-Hydroxy-Indolin-2-one Derivatives as Potential Antiviral Agents
Authors: Hadda Taibi Ben , Rastija Vesna , AlMalki Faisal , Titi Abderrahim , Touzani Rachid , Mabkhot Yahia N. , Khalid Shah , Zarrouk Abdelkader , Siddiqui Bina S. 
Published: December 2019

Background:
Studies on the interaction between bioactive molecules and HIV-1 virus
have been the focus of recent research in the scope of medicinal chemistry and pharmacology.

Objective:
Investigating the structural parameters and physico-chemical properties of elucidating
and identifying the antiviral pharmacophore sites.

Methods:
A mixed computational Petra/Osiris/Molinspiration/DFT (POM/DFT) based model has
been developed for the identification of physico-chemical parameters governing the bioactivity of
22 3-hydroxy-indolin-2-one derivatives of diacetyl-L-tartaric acid and aromatic amines containing
combined antiviral/antitumor/antibacterial pharmacophore sites. Molecular docking study was carried
out with HIV-1 integrase (pdb ID: 5KGX) in order to provide information about interactions
in the binding site of the enzyme.

Results:
The POM analyses of physico-chemical properties and geometrical parameters of compounds
3a-5j, show that they are bearing a two combined (O,O)-pockets leading to a special platform
which is able to coordinate two transition metals. The increased activity of series 3a-5j, as
compared to standard drugs, contains (Osp2,O sp3,O sp2)-pharmacophore site. The increase in bioactivity
from 4b (R1, R2 = H, H) to 3d (R1, R2 = 4-Br, 2-OCH3) could be attributed to the existence
of π-charge transfer from para-bromo-phenyl to its amid group (COδ---NHδ+). Similar to the
indole-based reference ligand (pdb: 7SK), compound 3d forms hydrogen bonding interactions between
the residues Glu170, Thr174 and His171 of HIV-1 integrase in the catalytic core domain of
the enzyme.

Conclusion:
Study confirmed the importance of oxygen atoms, especially from the methoxy group
of the phenyl ring, and electrophilic amide nitrogen atom for the formation of interactions.
Clustering of Zika Viruses Originating from Different Geographical Regions using Computational Sequence Descriptors
Authors: Vračko Marjan , Basak Subhash C. , Sen Dwaipayan , Nandy Ashesh 
Published: December 2019

Background:
In this report, we consider a data set, which consists of 310 Zika virus
genome sequences taken from different continents, Africa, Asia and South America. The sequences,
which were compiled from GenBank, were derived from the host cells of different mammalian
species (Simiiformes, Aedes opok, Aedes africanus, Aedes luteocephalus, Aedes dalzieli, Aedes
aegypti, and Homo sapiens).

Method:
For chemometrical treatment, the sequences have been represented by sequence descriptors
derived from their graphs or neighborhood matrices. The set was analyzed with three
chemometrical methods: Mahalanobis distances, principal component analysis (PCA) and self organizing
maps (SOM). A good separation of samples with respect to the region of origin was observed
using these three methods.

Results:
Study of 310 Zika virus genome sequences from different continents. To characterize and
compare Zika virus sequences from around the world using alignment-free sequence comparison
and chemometrical methods.

Conclusion:
Mahalanobis distance analysis, self organizing maps, principal components were
used to carry out the chemometrical analyses of the Zika sequence data. Genome sequences are
clustered with respect to the region of origin (continent, country). Africa samples are well separated
from Asian and South American ones.
Hypoglycemic Hemiparesis Masquerading As Ischemic Stroke: When Guideline Fails
Authors: Patel Dhruvkumar M. , Patel Mukundkumar V. , Gurumukhani Jayanti K. , Patel Maitri M. , Mahadevia Himal J. , Gajjar Ritesh A. 
Published: December 2019

Background:
Hypoglycemia may rarely present as hemiparesis and sometimes it is difficult to differentiate from ischemic stroke. When random blood sugar (RBS) value is between 50 and 80 mg % in patients presenting with focal neurological deficit, no guideline exists to consider the possibility of hypoglycemia before initiating thrombolytic therapy.

Clinical Case:
A 58-year-old male, who was a known case of diabetes and hypertension, was brought to the emergency room with acute onset of right hemiparesis and dysarthria of 90 minutes duration. His NIHSS Score was 9, blood pressure was 150/90 mm of Hg and RBS was 79 mg% on admission. His CT scan brain was normal and was considered for thrombolysis. Resident doctor not aware of previous sugar repeated RBS before thrombolysis which was surprisingly 60 mg% 60 minutes after the first RBS. Even though he was a candidate for thrombolysis, intravenous 25 % dextrose was administered considering the possibility of hypoglycemia. He made a complete recovery within 20 minutes and thrombolytic therapy was withheld.

In Diabetic patients with focal neurological deficit and RBS less than 80 mg% on admission, RBS should be rechecked and in appropriate cases should be challenged with IV dextrose considering the possibility of hypoglycemia before commencing thrombolytic therapy.
Research on Psychological Scales Based on the Multitheory Fusion
Authors: Liu Guangdi , Li Yu Chen , Wang Yue , Liu Jing Xiang , Sang Yong Sheng , Zhang Wei , Zhang Le 
Published: December 2019

Objective:
This study proposed an innovative approach to simplify the multiple
psychological scales for children and adolescents by integrating statistical methods and item
reflection theory into a structural equation model.

Methods:
First, a psychological scale for adolescents to replace the existing scales optimized for
adults with the Delphi method has been developed. Second, the number of items in the current
group of scales has been reduced.

Result and Conclusion:
A psychological scale for adolescents has been built up that
comprehensively reflects their psychological characteristics in terms of mental state, behavioral
status, emotion & feeling, relationship, and environmental adaptation. This psychological scale has
been simplified and improved its reliability and validity.
A Fast Encoding Scheme for High Efficiency Video Coding
Authors: Barr Mohammad 
Published: December 2019

Background:High-Efficiency Video Coding (HEVC) is a recent video compression standard. It provides better compression performance compared to its predecessor, H.264/AVC. However, the computational complexity of the HEVC encoder is much higher than that of H.264/AVC encoder. This makes HEVC less attractive to be used in real-time applications and in devices with limited resources (e.g., low memory, low processing power, etc.). The increased computational complexity of HEVC is partly due to its use of a variable size Transform Unit (TU) selection algorithm which successively performs transform operations using transform units of different sizes before selecting the optimal transform unit size. In this paper, a fast transform unit size selection method is proposed to reduce the computational complexity of an HEVC encoder.Methods:Bayesian decision theory is used to predict the size of the TU during encoding. This is done by exploiting the TU size decisions at a previous temporal level and by modeling the relationship between the TU size and the Rate-Distortion (RD) cost values.Results:Simulation results show that the proposed method achieves a reduction of the encoding time of the latest HEVC encoder by 16.21% on average without incurring any noticeable compromise on its compression efficiency. The algorithm also reduces the number of transform operations by 44.98% on average.Conclusion:In this paper, a novel fast TU size selection scheme for HEVC is proposed. The proposed technique outperforms both the latest HEVC reference software, HM 16.0, as well as other state-of-the-art techniques in terms of time-complexity. The compression performance of the proposed technique is comparable to that of HM 16.0.
Synthesis and characterization of metallic sulfide NPs doped graphene oxide for methylene blue adsorption to leuco methylene blue in aqueous mixture
Authors: Dev Sachin , Singh Man 
Published: December 2019

Introduction:
The Metal Sulfide Nanoparticles Doped Graphene Oxide Sheets Have Been Studied And Were Used To Adsorb Fluorescent Methylene Blue Dye. Such Mechanism Efficiently Reduces The Dyes And Their Fluorescent Pollutants Through The Positive And Negative Holes. The Metal Sulfide Doped Graphene Oxide Could Be A Most Potential Route To Reduce From Fluorescent To Non-Fluorescent Species To Prevent The Global Warming And Other Pollution Being Caused By Them.

Objectives:
This Study Has Been To Strengthen And Widen The Applications Of Negative And Positive Holes Quick Formation At A Negligible Energy Barrier. Metal Sulfide Nanoparticles Were Doped With Graphene Oxide To Further Strengthen The Semiconducting And To Fastened The Rate Of Adsorption Of Methylene Blue Dye.

Methods:
Graphite Flakes Were Oxidized To Graphite Oxide With High Yield. The Graphite Oxide Was Sonicated In Water To Obtain Graphene Oxide And Doped With Metal Sulfide Nanoparticles In Situ. The Samples Were Characterized With High End Instruments And Used For Adsorption.

Results:
The Metal Sulfide Nanoparticles Were Successfully Doped With Graphene Oxide. The Ftir And Xps Spectra Infer Doping Of Metal Sulfide Nanoparticle In Graphene Oxide. That Enhanced Methylene Blue Adsorption Upto 97%.

Conclusion:
The Common Adsorption Effect Of Methylene Blue With Bare Graphene Oxide And Metal Sulfide Nanoparticles Doped Graphene Oxide Were Studied In This Paper. The Methylene Blue Adsorption Was Maximum (97%) By Cadmium Sulfide Doped Graphene Oxide Compared To Bare Graphene Oxide (87%), Nickel Sulfide Doped Graphene Oxide (79%), And Zinc Sulfide Doped Graphene Oxide (89%). The Metal Sulfide Nanoparticles Have Successfully Enhanced A Semiconductor Mechanism Of Graphene Oxide Especially With 3d And 4d10 Of Cds.
Perceived Treatment Satisfaction and Effectiveness Facilitators Among Patients With Chronic Health Conditions: A Self-Reported Survey
Authors: Volpicelli Leonard Kathryn , Robertson Courtney , Bhowmick Amrita , Herbert Leslie Beth 
Published: December 2019

Background
Approximately 50% of patients are nonadherent to prescribed medications. Patient perception regarding medication effectiveness has been linked to improved adherence. However, how patients perceive effectiveness is poorly understood.

Objective
The aim of this study was to elucidate factors associated with perceived treatment satisfaction and effectiveness among patients with chronic health conditions.

Methods
We conducted a descriptive study using a cross-sectional survey design. We administered a Web-based survey to participants with migraine, multiple sclerosis (MS), or rheumatoid arthritis (RA). Patients were recruited from established online communities of Health Union. Descriptive statistics, correlations, and comparison tests were used to examine outcomes.

Results
Data were collected from 1820 patients: 567 with migraine, 717 with MS, and 536 with RA. The majority of participants were female (1644/1820, 90.33%), >40 years old (1462/1820, 80.33%), and diagnosed >5 years ago (1189/1820, 65.33%). Treatment satisfaction and perceived medication effectiveness were highly correlated (r=0.90, P<.01). Overall, three temporal factors were positively correlated with satisfaction or perceived effectiveness: time on current medication (satisfaction rs=0.22, P<.01; effectiveness rs=0.25, P<.01), time since diagnosis (satisfaction rs=0.07, P<.01; effectiveness rs=0.09, P<.01), and time on treatment (effectiveness rs=0.08, P<.01).

Conclusions
Findings validated the strong relationship between treatment satisfaction and perceived effectiveness. Understanding the (1) positive relationship between time and treatment satisfaction and effectiveness and (2) factors associated with determining medication effectiveness can help clinicians better understand the mindset of patients regarding treatment. Clinicians may be better prepared to elicit patient beliefs, which influence medication adherence, for people diagnosed with chronic health conditions.
Sustentabilidad del desarrollo urbano en la Megalópolis de México: perspectiva desde el análisis espacial
Authors: De Las Heras Gutiérrez Daniel , Adame Martínez Salvador , Cadena Vargas Edel Gilberto , Campos Alanís Juan 
Published: December 2019

Este trabajo consiste en un análisis de la sustentabilidad del desarrollo urbano de la Megalópolis del Centro de México, basado en la elaboración de un índice resumen a partir de 17 indicadores con el método de componentes principales, con el que se aplicaron técnicas de análisis espacial (AEDE). Se identificó la presencia de autocorrelación espacial positiva y la existencia de clústeres, indicando una dicotomía entre municipios centrales metropolitanos y periféricos, así como la posición aventajada en niveles de sustentabilidad de la Ciudad de México con respecto a los municipios restantes. Se identificaron los municipios más rezagados y con necesidad de intervención.