journal
MENU ▼
Read by QxMD icon Read
search

Current Drug Discovery Technologies

journal
https://www.readbyqxmd.com/read/30210004/molecular-docking-g-qsar-studies-synthesis-and-anticancer-screening-of-some-new-2-phenazinamines-as-bcr-abl-tyrosine-kinase-inhibitors
#1
Mayura A Kale, Gajanan M Sonwane
The computational studies on 2-phenazinamines with their protein targets have been carried out to design compounds with potential anticancer activity. This strategy of designing compounds possessing selectivity over specific tyrosine kinase has been achieved through G-QSAR and molecular docking studies. The objective of this research has been to design newer 2-phenazinamine derivatives as Bcr-Abl tyrosine kinase inhibitors by G-QSAR, molecular docking studies followed by wet lab studies along with evaluation of their anticancer potential...
September 13, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30207221/cancer-cell-metabolism-featuring-nrf2
#2
Payal Chatterjee, Mukesh Yadav, Namrata Chauhan, Ying Huang, Yun Luo
Although the major role of Nrf2 has long been established as a transcription factor for providing cellular protection against oxidative stress, multiple pieces of research and reviews now claim exactly the opposite. The dilemma - "to activate or inhibit" the protein requires an immediate answer, which evidently links cellular metabolism to the causes and purpose of cancer. Profusely growing cancerous cells have prolific energy requirements, which can only be fulfilled by modulating cellular metabolism...
September 10, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30179135/synthesis-characterization-and-antimicrobial-evaluation-of-some-n-substituted-benzimidazole-derivatives
#3
Anuj Kumar, Yogesh Kumar, Jagdish K Sahu, Sushil Kumar
BACKGROUND: Due to the appearance of communicable microbial diseases and the toxicity related with presently used several antimicrobials such as β-lactam antibiotics, tetracyclines, quinolones, macrolides, glycopeptides (vancomycin) etc, demand for new antimicrobial agents has become great concern in new technologies to improve efficacy and safety. METHODS: In search of new antimicrobial agents with higher potency, some N-substituted benzimidazole derivatives (4, 5a-5h & 6) were obtained by chloroacetylation of benzimidazole followed by reaction with different amines which were characterized by spectroscopic methods...
August 31, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30160214/comfa-comsia-and-hqsar-analysis-of-3-aryl-3-ethoxypropanoic-acid-derivatives-as-gpr40-modulators
#4
Krishna A Gajjar, Anuradha K Gajjar
Human GPR40 receptor, also known as free fatty-acid receptor 1, is a G-protein-coupled receptor that binds long chain free fatty acids to enhance glucose-dependent insulin secretion. In order to improve the resistance and efficacy, computational tools were utilized. To build the 3D-QSAR models, CoMFA (Comparative Molecular Field Analysis), CoMSIA (Comparative Molecular Similarity Indices Analysis) and HQSAR (Hologram Quantitative Structure Activity Relationship) were performed on series of 3-aryl-3-ethoxypropanoic acid derivatives...
August 29, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30156162/identification-of-phenolic-compounds-from-nettle-as-new-candidate-inhibitors-of-main-enzymes-responsible-on-type-ii-diabetes
#5
Salim Bouchentouf
BACKGROUND: In medicinal chemistry, the discovery of small organic molecules that can be optimized and lead to a future drug capable of effectively modulating the biological activity of a therapeutic target remains as major challenge. Because of harmful secondary effects of synthesized therapeutic molecules, the development of research has been oriented towards phytomedicines. Phenolic compounds from medicinal plants are constantly explored for new therapeutic use. METHODS: In this paper, we studied interactions between main enzymes responsible on type 2 diabetes mellitus (T2DM) and phenolic compounds from nettle (Urtica dioica L...
August 28, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30152286/antibacterial-flavonoids-against-oral-bacteria-of-enterococcus-faecalis-atcc-29212-from-sarang-semut-myrmecodia-pendans-and-its-inhibitor-activity-against-enzyme-mura
#6
Dikdik Kurnia, Eti Apriyanti, Cut Soraya, M H Satari
The aim of this work is to isolate antibacterial compounds from Sarang Semut (Myrmecodia pendans) and to evaluate their antibacterial activity against pathogenic oral bacteria of Enterococcus faecalis ATCC 29212 and inhibitory activity against MurA enzyme. The antibacterial compounds from Sarang Semut were isolated by a bioactivity-guided separation method with various solvents and combination of column chromatography on normal and reverse phases. The compounds with concentrations of 1000 and 5000 ppm were assessed against E...
August 27, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30147011/topological-analysis-of-electron-density-in-large-biomolecular-systems
#7
Maria A Grishina, Vladimir A Potemkin
AlteQ approach was applied to the tolopogical analysis of electron density for "substrate - cytochrome" complexes. The approach is based on the use of Slater's type atomic contributions. Parameters of the atomic contributions were found using high resolution X-ray diffraction data for organic and inorganic molecules. Relationships of the parameters with atomic number, ionization potentials and electronegativities were determined. The sufficient quality of the molecular electron structure representation was shown under comparison of AlteQ predicted and observed electron densities...
August 21, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30091415/chemistry-and-pharmacological-activities-of-biginelli-product-a-brief-overview
#8
Namy George, M Asha Asokan, A Ajish, S Surya, V Vishnu, Rajasree G Pai, Subin Mary Zachariah
Dihydropyrimidinones are extremely advantageous small sized molecules owning adaptable pharmaceutical properties. With a molecular formula C4H6N2O, they hold a wide range of biological activities. It is a heterocyclic moiety having two N-atoms at positions 1 and 3. They are derivatives of pyrimidine containing an additional ketone group. They have inspired development of a wide range of synthetic methods for preparation and chemical transformations. Taking into consideration their structural similarity and involvement with DNA and RNA, they have become very imperative in the world of synthetic organic chemistry...
August 7, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30088449/identification-and-ranking-of-clinical-compounds-with-activity-against-log-phase-growing-uropathogenic-escherichia-coli
#9
Hongxia Niu, Rebecca Yee, Peng Cui, Shuo Zhang, Lili Tian, Wanliang Shi, David Sullivan, Bingdong Zhu, Wenhong Zhang, Ying Zhang
BACKGROUND: Uropathogenic Escherichia coli (UPEC) is a major cause of urinary tract infections (UTIs). Due to increasing antibiotic-resistance among UPEC bacteria, new treatment options for UTIs are urgently needed. OBJECTIVE: To identify new agents targeting growing bacteria that may be used for the treatment of antibiotic-resistant UTIs. METHOD: We screened a clinical compound library consisting of 1,524 compounds using a high throughput 96-well plate assay and ranked the activities of the selected agents according to their MICs against the UPEC strain UTI89...
August 7, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30088448/identification-and-characterization-of-chemical-compounds-that-inhibit-leucyl-trna-synthetase-from-pseudomonas-aeruginosa
#10
Regina Zamacona, Pamela N Chavero, Eduardo Medellin, Yanmei Hu, Casey A Hughes, Nathalie Quach, Megan Keniry, James M Bullard
BACKGROUND: Pseudomonas aeruginosa is an opportunistic multi-drug resistance pathogen implicated as the causative agent in a high-percentage of nosocomial and community acquired bacterial infections. The gene encoding leucyl-tRNA synthetase (LeuRS) from P. aeruginosa was overexpressed in Escherichia coli and the resulting protein was characterized. METHODS: LeuRS was kinetically evaluated and the KM values for interactions with leucine, ATP and tRNA were 6.5, 330, and 3...
August 7, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30084332/effect-of-geographical-location-and-type-of-extract-on-total-phenol-flavon-contents-and-antioxidant-activity-of-different-fruits-extracts-of-withania-somnifera
#11
Lokesh Adhikari, Rupali Kotiyal, Mukesh Pandey, Meenakshi Bharkatiya, Ajay Sematy, Mona Semalty
Withania somnifera (family solanaceae) is a well investigated medicinal plant which is also called as Indian ginseng due to its wide spectrum of medicinal properties. The contents and activity of the plant may vary depending on the habitat and part of the plant and the solvent used for extraction. The present study deals with the comparative chemical analysis and in vitro antioxidant activity of methanolic fruits extracts and its subfractions (in ethyl acetate, butanol and water) of W. somnifera collected from two different geographical locations...
August 6, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30068281/structure-based-docking-studies-of-glut4-towards-exploring-selected-phytochemicals-from-somalia-xanthocarpum-as-a-therapeutic-target-for-the-treatment-of-cancer
#12
Babatunji Emmanuel Oyinloye, Tayo Alex Adekiya, Raphael Taiwo Aruleba, Oluwafemi Adeleke Ojo, Basiru Olaitan Ajiboye
In recent years, there has been an exponential increase in the global burden of cancer which has been associated with several factors including environmental influence, aging, diet, infectious agents, hormonal imbalance and chronic inflammation, among others. Cancerous cells utilize more glucose for its proliferation and survival than normal cells. Thus, the regulation of glucose consumption of cancerous cells through the inhibition of glucose transporter-4-protein (GLUT4) encoded by solute carrier family-2-member-4-gene (Slc2a4) by selected phytochemicals from Somalia xanthocarpum may serve as a new therapeutic candidate for the treatment of cancer...
August 1, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30068280/a-review-on-influence-of-spray-drying-process-parameters-on-the-production-of-medicinal-plant-powders
#13
Loreana Gallo, Veronica Bucala
Medicinal plants are used by the 80% of the world population as primary health care andthe phytomedicine market is growing exponentially. Currently, the production of phytopharmaceuticals with proper efficacy, safety and consistent quality constitute a relevant challenge. The dried dosage forms of medicinal plants are preferred than liquid presentations because their higher stability. The spray drying technology is the most employed process to produce dried extracts from medicinal plant liquid extracts. These powders need to meet certain physico-chemical (e...
August 1, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30039762/investigation-on-quantitative-structure-activity-relationships-of-1-3-4-oxadiazole-derivatives-as-potential-telomerase-inhibitors
#14
Marco Tutone, Beatrice Pecoraro, Anna Maria Almerico
A series of 1,3,4-oxadiazole derivatives with significant broad-spectrum anticancer activity against different cell lines, and demonstrated telomerase inhibition, was subjected to Quantitative Structure-Activity Relationships (QSAR) analysis. Validated models with high correlation coefficients were developed. The Multiple Linear Regression (MLR) models, by Ordinary Least Squares (OLS), showed good robustness and predictive capability, according to the Multi-Criteria Decision Making (MCDM = 0.8352), a technique that simultaneously enhances the performances of a certain number of criteria...
July 23, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30033873/current-discovery-progress-of-some-emerging-anti-infective-chalcones-highlights-from-2016-to-2017
#15
Debarshi Kar Mahapatra, Soumajit Ghorai, Sanjay Kumar Bharti, Asmita Gajbhiye Patil, Shovanlal Gayen
The anti-infective potentials of the natural products are very well known for centuries and are a part of traditional healing. The foremost therapeutic classes include flavones, isoflavones, flavonols, flavanones, flavanols, proanthocyanidins, anthocyanidins, chalcones, and aurones. The chalcone or 1,3-diphenyl-2E-propene-1-one represents the class of natural product which comprise of benzylideneacetophenone function; i.e. two aromatic moieties linked together by a α, β-unsaturated carbonyl bridge comprising of three-carbons...
July 20, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30019647/anti-ophidian-properties-of-herbal-medicinal-plants-could-it-be-a-remedy-for-snake-bite-envenomation
#16
Subhamay Panda, Leena Kumari
Snake bite envenoming cause high rates of morbidity and mortality and is one of the serious health related concern all over the globe. Around 3200 species of snakes have been discovered till date. Amid these species, about 1300 species of snakes are venomous. On account of its severity, World Health Organization (WHO) recently included snake bite envenoming in the list of neglected tropical diseases. Immunotherapy has partially solved the issues related to snake bite envenomation. However, it is associated with numerous adverse effects, due to which alternative treatment strategies are required for the treatment of snake bite...
July 17, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/30019646/therapeutic-potential-of-citronella-essential-oil-a-review
#17
Ruchi Sharma, Rekha Rao, Sunil Kumar, Sheefali Mahant, Sarita Khatkar
Mosquito borne diseases such as malaria, filariasis, chikunguniya, yellow fever, dengue and Japanese encephalitis are the major cause of remarkable morbidity and mortality in livestock and humans worldwide. Since ancient times, aromatic plants are used for their medicinal value. Essential oils derived from these plants may be used as effective alternatives/adjuvents in pharmaceuticals, biomedical, cosmetic, food, veterinary and agriculture applications. These oils have also gained popularity and interest for prevention and treatment of various disorders...
July 17, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/29984660/lead-optimization-studies-towards-finding-ns2b-ns3-protease-target-specific-inhibitors-as-potential-anti-dengue-drug-like-compounds
#18
Murugaboopathi Gurusamy, Jainul Fathima
Dengue Fever is a major threatening global health issue caused by a mosquito-borne pathogen. Even though some anti-viral drugs are now available to reduce the disease severity. Still, there is a need for better drug compound to combat with dengue fever. The NS2B/NS3 protease is a major therapeutic drug target for Insilco drug discovery. Previously, we have performed a pharmacophore feature based virtual screening studies, which has led to the identification of ZINC92615064 compound as a potent NS2B/NS3 protease inhibitor and demonstrated its potential to act as anti-dengue drug-like compound using computational approaches...
July 9, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/29972103/appetite-reducing-herbal-drugs-from-the-perspective-of-avicenna-and-aghili-in-iranian-traditional-medicine-persian-medicine
#19
Elham Parsa, Roshanak Mokaberinejad, Mahmood Khodadoost, Armin Zareiyan, Morteza Mojahedi, Farideh Yaghmaei, Parisa Jafari, Fatemeh Hakimi
The increasing prevalence of obesity is one of the problems of today's society. Man needs food to continue living, activities, and even the metabolism of food and appetite plays an important role in receiving foods, Appetite and weight reducing synthetic drugs are recommended for some patients with high prices and significant side effects, and limited effectiveness in the treatment of obesity. Given the epidemic of obesity and the lack of satisfaction with synthetic drugs these days, people are more likely to use herbal medicines...
July 3, 2018: Current Drug Discovery Technologies
https://www.readbyqxmd.com/read/29962347/oralacute-and-repeated-doses-toxicity-study-of-valepotriates-from-valeriana-glechomifolia-meyer-in-mice
#20
Tielle Moraes de Almeida, Gilsane Lino von Poser, Liz Girardi Muller, Paula Reis Pereira, Eduardo Cassel, Rubem M F Vargas, Nilson Junior da Silva Nunes, David Driemeier, Eliane Dallegrave, Stella de Faria Valle
Species of Valeriana show sedative, hypnotic, anxiolytic, antidepressant and anti-inflammatory properties, which are associated with valepotriates. However, data about toxicity and safety of these compounds are still limited. The aim of this study was to investigate the toxicity of a valepotriate-enriched fraction (VAL) from Valeriana glechomifolia Meyer based on the Organization for Economic Cooperation and Development (OECD) guidelines 423 and 407. In the acute study, CF1 mice were treated with a single dose of VAL (2000 mg/kg, p...
June 29, 2018: Current Drug Discovery Technologies
journal
journal
40309
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"