Prediction of New Bioactive Molecules of Chemical Compound Using Boosting Ensemble Methods

2017 ◽  
pp. 255-262 ◽  
Author(s):  
Haslinda Hashim ◽  
Faisal Saeed
Keyword(s):  
Chemical Compound ◽  
Ensemble Methods ◽  
Bioactive Molecules

PEMANFAATAN KULIT KAYU GEMOR (Alseodaphne sp.) DAN CANGKANG KEMIRI (Aleurites molucca) UNTUK OBAT NYAMUK ALAMI

2011 ◽  
Vol 3 (2) ◽  
pp. 13
Author(s):  
Budi Tri Cahyana ◽  
Andri Taruna Rachmadi
Keyword(s):  
Human Health ◽  
Chemical Compound ◽  
Variance Analysis ◽  
Force Analysis ◽  
Mosquito Coil ◽  
Research Product ◽  
Economic View ◽  
Hazelnut Shell ◽  
Random Variance ◽  
Main Material

Blood fever and Chikungunya cases in Indonesia are increasing annually. For preventing the mosquios, people use mosquito coil which is contain dangerous chemical compound. This research has successly created a natural mosquito coil with gemor bark and hazelnut fruit shell as the main material. Gemor bark is positive containing alcaloid,tanin, phenolk, flvonoid, triterpnoid and glycocydic compounds which are natural bioinsecticide. As formulation the comparison of gemor bark and hazelnut shell as follow :100% : 0 %  ; 80 % : 20 % ; 65 % : 35 % ; 50 % : 50 % ; 35 % : 65% and 20 % : 80% were used. Base one random variance analysis, the best formula was the using of gemor bark in 50%, 35% and  20% of concentration. The mosquitos killing force analysis was using the LT50 for 6 days with 5 diferent concentrations. The result showed that 50 %  of gemor bark was significantly influenced in the killing force. From the economic view, the producion of this coil was cheaper then the same product in the maket. Base on all the result, the research product is applicable in mass producion and safe for human health and the environment.Keywords: gemor bark , hazelnut fruit shell ,  mosquito coil, natural ,  ecofriendly

Bifluoride Ion Mediated SuFEx Trifluoromethylation of Sulfonyl Fluorides and Iminosulfur Oxydifluorides

2018 ◽  
Author(s):  
Christopher J. Smedley ◽  
Bing Gao ◽  
Suhua Li ◽  
Qinheng Zheng ◽  
Andrew Molino ◽  
...  
Keyword(s):  
Breast Cancer Cells ◽  
Catalytic Mechanism ◽  
Bioactive Molecules ◽  
Chromatographic Purification ◽  
Rapid Exchange ◽  
Nucleophilic Displacement ◽  
Sulfur Fluoride ◽  
Reactions With Nucleophiles ◽  
New Generation ◽  
Selection Of

Sulfur-Fluoride Exchange (SuFEx) is the new generation click chemistry transformation exploiting the unique properties of S-F bonds and their ability to undergo near-perfect reactions with nucleophiles. We report here the first SuFEx based protocol for the efficient synthesis of pharmaceutically important triflones and bis(trifluoromethyl)sulfur oxyimines from the corresponding sulfonyl fluorides and iminosulfur oxydifluorides, respectively. The new protocol involves the rapid exchange of the S-F bond with trifluoromethyltrimethylsilane (TMSCF<sub>3</sub>) upon activation with potassium bifluoride in anhydrous DMSO. The reaction tolerates a wide selection of substrates and proceeds under mild conditions without need for chromatographic purification. A tentative catalytic mechanism is proposed supported by DFT calculations, involving formation of the free trifluoromethyl anion followed by nucleophilic displacement of the S-F through a five-coordinate intermediate. The preparation of a benzothiazole derived bis(trifluoromethyl)sulfur oxyimine with cytotoxic selectivity for MCF7 breast cancer cells demonstrates the utility of this methodology for the late-stage functionalization of bioactive molecules.<br>

Reductive Cleavage of Secondary Sulfonamides: Converting Terminal Functional Groups into Versatile Synthetic Handles

2019 ◽  
Author(s):  
Patrick Fier ◽  
Suhong Kim ◽  
Kevin M. Maloney
Keyword(s):  
Functional Groups ◽  
Late Stage ◽  
Reductive Cleavage ◽  
Bioactive Molecules ◽  
General Method

Sulfonamides are pervasive in drugs and agrochemicals, yet are typically considered as terminal functional groups rather than synthetic handles. To enable the general late-stage functionalization of secondary sulfonamides, we have developed a mild and general method to reductively cleave the N-S bonds of sulfonamides to generate sulfinates and amines, components which can further react <i>in-situ</i> to access a variety of other medicinally relevant functional groups. The utility of this platform is highlighted by the selective manipulation of several complex bioactive molecules.

Antibiotic-anionic Clay Matrix Used for Drug Controlled Release

2018 ◽  
Vol 69 (2) ◽  
pp. 321-323
Author(s):  
Georgeta Zegan ◽  
Elena Mihaela Carausu ◽  
Loredana Golovcencu ◽  
Alina Sodor Botezatu ◽  
Eduard Radu Cernei ◽  
...  
Keyword(s):  
Controlled Release ◽  
Layered Double Hydroxides ◽  
Bioactive Molecules ◽  
Drug Controlled Release ◽  
Anionic Clays ◽  
Anionic Clay ◽  
Toxicological Studies ◽  
High Efficient ◽  
Clay Matrix ◽  
Double Hydroxides

Anionic clay matrix acting as drug controlled release system have shown in last years a great potential for delivery of bioactive molecules and chemical therapeutics. This organic-inorganic nanohybrid system is high efficient offering an excellent protection of intercalated compounds from degradation. Compared to other nanoparticles used in medical area, anionic clays type layered double hydroxides have found to be biocompatible according to toxicological studies. Ampicillin containing MgAlLDHs and ZnAlLDH samples have been prepared following two routes: anion-exchange procedure and reconstruction from calcined layered double hydroxides. Solid samples have been characterized by FTIR and SEM-EDX highlighting the alteration of pristine LDHs structure when the antibiotic is introduced in the interlayer gallery.

Potency of Super Red Dragon Fruit Flesh Extract (Hylocereus costaricencis) in Herbal Lipstick as Colorant, Antioxidant and Antibacterial

SCISCITATIO ◽  
2020 ◽  
Vol 1 (1) ◽  
Author(s):  
Lusiana Dian Anjarsari ◽  
Dwi Aditiyarini ◽  
Guntoro
Keyword(s):  
Staphylococcus Aureus ◽  
Chemical Compound ◽  
Negative Impact ◽  
Antioxidant Properties ◽  
Natural Source ◽  
Fruit Extract ◽  
Fruit Flesh ◽  
Self Confidence ◽  
Dragon Fruit ◽  
Ic50 Value

Lipstick is one kind of cosmetics which is used as lips colorant to increase self-confidence. Nowadays, lipsticks from natural source is popular to reduce the negative impact of chemical compound or synthetics colorant in lipstick intensively for health. Super red dragon fruit is one kind of natural ingredients which can be used as colorant for lipstick. Moreover, this fruit is rich of antioxidant and antibacterial component that is good for skin health. In this research, extract of super red dragon fruit flesh was added in the lipstick during preparation with variation of concentration 0, 10, 20, 30 and 40%. Antioxidant analysis resulted the IC50 value in 81.55% indicating the strong antioxidant properties. Furthermore, the concentration of dragon fruit extract 40% was able to inhibit the growth of Staphylococcus aureus bacteria.

Role of Matrix Metalloproteinases in Degenerative Kidney Disorders

2018 ◽  
Vol 25 (15) ◽  
pp. 1805-1816 ◽  
Author(s):  
Shifa Narula ◽  
Chanderdeep Tandon ◽  
Simran Tandon
Keyword(s):  
Matrix Metalloproteinases ◽  
Transforming Growth Factor ◽  
Kidney Diseases ◽  
Transforming Growth Factor Β1 ◽  
Bioactive Molecules ◽  
Tissue Inhibitors Of Metalloproteinases ◽  
Ecm Remodeling ◽  
Surface Receptors ◽  
Calcium Dependent ◽  
Ecm Degradation

Matrix metalloproteinases (MMPs) are members of calcium dependent-zinc containing endopeptidases that play a pivotal role in extracellular matrix (ECM) remodeling. MMPs are also known to cleave non-matrix proteins, including cell surface receptors, TNF-α, angiotensin-II, growth factors, (especially transforming growth factor-β1, ΤGF- β1) plasminogen, endothelin and other bioactive molecules. The tissue inhibitors of metalloproteinases (TIMPs) inhibit the activity of MMPs and decrease ECM degradation. Various patho-physiological conditions have been linked with the imbalance of ECM synthesis and degradation. Numerous studies have reported the significance of MMPs and TIMPs in the progression of kidney pathologies, including glomerulonephritis, diabetic nephropathy, renal cancer, and nephrolithiasis. Although dysregulated activity of MMPs could directly or indirectly lead to pathological morbidities, their contribution in disease progression is still understated. Specifically, MMP activity in the kidneys and it's relation to kidney diseases has been the subject of a limited number of investigations. Therefore, the aim of the present review is to provide an updated insight of the involvement of MMPs and TIMPs in the pathogenesis of inflammatory and degenerative kidney disorders.

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