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Pharmaceutical chemistry

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https://www.readbyqxmd.com/read/27920947/the-daniel-k-inouye-college-of-pharmacy-scripts-poha-berry-physalis-peruviana-with-potential-anti-inflammatory-and-cancer-prevention-activities
#1
Leng Chee Chang, Mayuramas Sang-Ngern, John M Pezzuto, Carolyn Ma
The Daniel K. Inouye College of Pharmacy, during a historic event in Spring 2016, graduated the first two students in the Pacific region to earn a PhD in pharmaceutical sciences at the University of Hawai'i at Hilo. The college offers PhD programs in these five disciplines: Cancer Biology, Medicinal Chemistry, Pharmaceutics, Pharmacognosy, and Pharmacology. One of the Pharmacognosy dissertations focused on plant-derived natural products with potential anti-inflammatory and cancer chemopreventive activities...
November 2016: Hawai'i Journal of Medicine & Public Health: a Journal of Asia Pacific Medicine & Public Health
https://www.readbyqxmd.com/read/27915982/molecular-cellular-and-pharmaceutical-aspects-of-bone-grafting-materials-and-membranes-during-maxillary-sinus-lift-procedures-part-2-detailed-characteristics-of-the-materials
#2
Giovanna Iezzi, Adriano Piatelli, Alessandra Giuliani, Carlo Mangano, Antonio Barone, Licia Manzon, Marco Degidi, Antonio Scarano, Antonella Filippone, Vittoria Perrotti
Various grafts or combination of bone substitute materials have been used in sinus lift procedures. Currently, ongoing developments in several disciplines, from molecular biology and chemistry to computer science and engineering, have contributed to the understanding of biological processes leading to bone healing after the use of bone substitute materials (BSBs) and therefore of the behavior of BSBs. The understanding of the properties of each graft enables individual treatment concepts and therefore allows shift from a simple replacement material to the modern concept of an individually created composite biomaterial...
December 1, 2016: Current Pharmaceutical Biotechnology
https://www.readbyqxmd.com/read/27907110/electrospray-ionization-efficiency-is-dependent-on-different-molecular-descriptors-with-respect-to-solvent-ph-and-instrumental-configuration
#3
Andreas Kiontke, Ariana Oliveira-Birkmeier, Andreas Opitz, Claudia Birkemeyer
Over the past decades, electrospray ionization for mass spectrometry (ESI-MS) has become one of the most commonly employed techniques in analytical chemistry, mainly due to its broad applicability to polar and semipolar compounds and the superior selectivity which is achieved in combination with high resolution separation techniques. However, responsiveness of an analytical method also determines its suitability for the quantitation of chemical compounds; and in electrospray ionization for mass spectrometry, it can vary significantly among different analytes with identical solution concentrations...
2016: PloS One
https://www.readbyqxmd.com/read/27898308/emerging-biopharmaceuticals-from-marine-actinobacteria
#4
REVIEW
Syed Shams Ul Hassan, Komal Anjum, Syed Qamar Abbas, Najeeb Akhter, Bibi Ibtesam Shagufta, Sayed Asmat Ali Shah, Umber Tasneem
Actinobacteria are quotidian microorganisms in the marine world, playing a crucial ecological role in the recycling of refractory biomaterials and producing novel secondary metabolites with pharmaceutical applications. Actinobacteria have been isolated from the huge area of marine organisms including sponges, tunicates, corals, mollusks, crabs, mangroves and seaweeds. Natural products investigation of the marine actinobacteria revealed that they can synthesize numerous natural products including alkaloids, polyketides, peptides, isoprenoids, phenazines, sterols, and others...
November 22, 2016: Environmental Toxicology and Pharmacology
https://www.readbyqxmd.com/read/27896883/curcumin-as-a-multifaceted-compound-against-human-papilloma-virus-infection-and-cervical-cancers-a-review-of-chemistry-cellular-molecular-and-preclinical-features
#5
REVIEW
Manouchehr Teymouri, Matteo Pirro, Thomas P Johnston, Amirhosein Sahebkar
Curcumin, the bioactive polyphenolic ingredient of turmeric, has been extensively studied for its effects on human papilloma virus (HPV) infection as well as primary and malignant squamous cervical cancers. HPV infections, especially those related to HPV 16 and 18 types, have been established as the leading cause of cervical cancer; however, there are also additional contributory factors involved in the etiopathogenesis of cervical cancers. Curcumin has emerged as having promising chemopreventive and anticancer effects against both HPV-related and nonrelated cervical cancers...
November 29, 2016: BioFactors
https://www.readbyqxmd.com/read/27896745/molecular-similarity-concepts-for-informatics-applications
#6
Jürgen Bajorath
The assessment of small molecule similarity is a central task in chemoinformatics and medicinal chemistry. A variety of molecular representations and metrics are applied to computationally evaluate and quantify molecular similarity. A critically important aspect of molecular similarity analysis in chemoinformatics and pharmaceutical research is that one is typically not interested in quantifying the degree of structural or chemical similarity between compounds per se, but rather in extrapolating from molecular similarity to property similarity...
2017: Methods in Molecular Biology
https://www.readbyqxmd.com/read/27882441/regioselective-synthesis-and-biological-studies-of-novel-1-aryl-3-5-bis-het-aryl-pyrazole-derivatives-as-potential-antiproliferative-agents
#7
Hanumappa Ananda, Kothanahally S Sharath Kumar, Mayilaadumveettil Nishana, Mahesh Hegde, Mrinal Srivastava, Raghava Byregowda, Bibha Choudhary, Sathees C Raghavan, Kanchugarakoppal S Rangappa
Pyrazole moiety represents an important category of heterocyclic compound in pharmaceutical and medicinal chemistry. The novel 1-aryl-3, 5-bis (het) aryl pyrazole derivatives were synthesized with complementary regioselectivity. The chemical structures were confirmed by IR, (1)H NMR, (13)C NMR, and mass spectral analysis. The chemical entities were screened in various cancer cell lines to assess their cell viability activity. Results showed that the compound 3-(1-(4-bromophenyl)-5-phenyl-1H-pyrazol-3-yl) pyridine (5d) possessed maximum cytotoxic effect against breast cancer and leukemic cells...
November 24, 2016: Molecular and Cellular Biochemistry
https://www.readbyqxmd.com/read/27875310/extending-halogen-based-medicinal-chemistry-to-proteins-iodo-insulin-as-a-case-study
#8
Krystel El Hage, Vijay Pandyarajan, Nelson B Phillips, Brian J Smith, John G Menting, Jonathan Whittaker, Michael C Lawrence, Markus Meuwly, Michael A Weiss
Insulin, a protein critical for metabolic homeostasis, provides a classical model for protein design with application to human health. Recent efforts to improve its pharmaceutical formulation demonstrated that iodination of a conserved tyrosine (Tyr(B26)) enhances key properties of a rapid-acting clinical analog. Moreover, the broad utility of halogens in medicinal chemistry has motivated use of hybrid quantum- and molecular-mechanical methods to study proteins. Here, we (i) undertook quantitative atomic-level simulations of 3-I-Tyr(B26)-insulin to predict its structural features and (ii) tested these predictions by X-ray crystallography...
November 14, 2016: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/27872920/ultrafast-chiral-separations-for-high-throughput-enantiopurity-analysis
#9
Chandan L Barhate, Leo A Joyce, Alexey A Makarov, Kerstin Zawatzky, Frank Bernardoni, Wes A Schafer, Daniel W Armstrong, Christopher J Welch, Erik L Regalado
Recent developments in fast chromatographic enantioseparations now make high throughput analysis of enantiopurity on the order of a few seconds achievable. Nevertheless, routine chromatographic determinations of enantiopurity to support stereochemical investigations in pharmaceutical research and development, synthetic chemistry and bioanalysis are still typically performed on the 5-20 min timescale, with many practitioners believing that sub-minute enantioseparations are not representative of the molecules encountered in day to day research...
November 22, 2016: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/27866605/hydrothermal-preparation-of-reduced-graphene-oxide-silver-nanocomposite-using-plectranthus-amboinicus-leaf-extract-and-its-electrochemical-performance
#10
Yuhong Zheng, Aiwu Wang, Wen Cai, Zhong Wang, Feng Peng, Zhong Liu, Li Fu
Graphene based nanocomposites are receiving increasing attention in many fields such as material chemistry, environmental science and pharmaceutical science. In this study, a facial synthesis of a reduced graphene oxide-silver nanocomposite (RGO-Ag) was carried out from Plectranthus amboinicus leaf extract. The synthesized nanocomposite was characterized by using X-ray diffraction, scanning electron microscope, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscope and UV-vis spectroscopy for structural confirmation...
December 2016: Enzyme and Microbial Technology
https://www.readbyqxmd.com/read/27865713/platensimycin-and-platencin-inspirations-for-chemistry-biology-enzymology-and-medicine
#11
REVIEW
Jeffrey D Rudolf, Liao-Bin Dong, Ben Shen
Natural products have served as the main source of drugs and drug leads, and natural products produced by microorganisms are one of the most prevalent sources of clinical antibiotics. Their unparalleled structural and chemical diversities provide a basis to investigate fundamental biological processes while providing access to a tremendous amount of chemical space. There is a pressing need for novel antibiotics with new mode of actions to combat the growing challenge of multidrug resistant pathogens. This review begins with the pioneering discovery and biological activities of platensimycin (PTM) and platencin (PTN), two antibacterial natural products isolated from Streptomyces platensis...
November 16, 2016: Biochemical Pharmacology
https://www.readbyqxmd.com/read/27863681/combinatorial-nanodiamond-in-pharmaceutical-and-biomedical-applications
#12
Dae Gon Lim, Racelly Ena Prim, Ki Hyun Kim, Eunah Kang, Kinam Park, Seong Hoon Jeong
One of the newly emerging carbon materials, nanodiamond (ND), has been exploited for use in traditional electric materials and this has extended into biomedical and pharmaceutical applications. Recently, NDs have attained significant interests as a multifunctional and combinational drug delivery system. ND studies have provided insights into granting new potentials with their wide ranging surface chemistry, complex formation with biopolymers, and combination with biomolecules. The studies that have proved ND inertness, biocompatibility, and low toxicity have made NDs much more feasible for use in real in vivo applications...
November 30, 2016: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/27854340/a-green-approach-for-allylations-of-aldehydes-and-ketones-combining-allylborate-mechanochemistry-and-lanthanide-catalyst
#13
Viviane P de Souza, Cristiane K Oliveira, Thiago M de Souza, Paulo H Menezes, Severino Alves, Ricardo L Longo, Ivani Malvestiti
Secondary and tertiary alcohols synthesized via allylation of aldehydes and ketones are important compounds in bioactive natural products and industry, including pharmaceuticals. Development of a mechanochemical method using potassium allyltrifluoroborate salt and water, to successfully perform the allylation of aromatic and aliphatic carbonyl compounds is reported for the first time. By controlling the grinding parameters, the methodology can be selective, namely, very efficient for aldehydes and ineffective for ketones, but by employing lanthanide catalysts, the reactions with ketones can become practically quantitative...
November 16, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27846423/in-silico-target-prediction-for-elucidating-the-mode-of-action-of-herbicides-including-prospective-validation
#14
Rucha K Chiddarwar, Sebastian G Rohrer, Antje Wolf, Stefan Tresch, Sabrina Wollenhaupt, Andreas Bender
The rapid emergence of pesticide resistance has given rise to a demand for herbicides with new mode of action (MoA). In the agrochemical sector, with the availability of experimental high throughput screening (HTS) data, it is now possible to utilize in silico target prediction methods in the early discovery phase to suggest the MoA of a compound via data mining of bioactivity data. While having been established in the pharmaceutical context, in the agrochemical area this approach poses rather different challenges, as we have found in this work, partially due to different chemistry, but even more so due to different (usually smaller) amounts of data, and different ways of conducting HTS...
November 6, 2016: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/27834376/biocatalytic-trifluoromethylation-of-unprotected-phenols
#15
Robert C Simon, Eduardo Busto, Nina Richter, Verena Resch, Kendall N Houk, Wolfgang Kroutil
Organofluorine compounds have become important building blocks for a broad range of advanced materials, polymers, agrochemicals, and increasingly for pharmaceuticals. Despite tremendous progress within the area of fluorination chemistry, methods for the direct introduction of fluoroalkyl-groups into organic molecules without prefunctionalization are still highly desired. Here we present a concept for the introduction of the trifluoromethyl group into unprotected phenols by employing a biocatalyst (laccase), tBuOOH, and either the Langlois' reagent or Baran's zinc sulfinate...
November 11, 2016: Nature Communications
https://www.readbyqxmd.com/read/27829335/amorphous-and-crystalline-particulates-challenges-and-perspectives-in-drug-delivery
#16
Hisham Al-Obaidi, Mridul Majumder, Fiza Bari
Crystalline and amorphous dispersions have been the focus of academic and industrial research due to their potential role in formulating poorly water-soluble drugs. This review looks at the progress made starting with crystalline carriers in the form of eutectics moving towards more complex crystalline mixtures. It also covers using glassy polymers to maintain the drug as amorphous exhibiting higher energy and entropy. However, the amorphous form tends to recrystallize on storage, which limits the benefits of this approach...
November 7, 2016: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/27827902/chiral-alkyl-halides-underexplored-motifs-in-medicine
#17
REVIEW
Bálint Gál, Cyril Bucher, Noah Z Burns
While alkyl halides are valuable intermediates in synthetic organic chemistry, their use as bioactive motifs in drug discovery and medicinal chemistry is rare in comparison. This is likely attributable to the common misconception that these compounds are merely non-specific alkylators in biological systems. A number of chlorinated compounds in the pharmaceutical and food industries, as well as a growing number of halogenated marine natural products showing unique bioactivity, illustrate the role that chiral alkyl halides can play in drug discovery...
November 4, 2016: Marine Drugs
https://www.readbyqxmd.com/read/27822535/an-integrated-metabolomic-and-genomic-mining-workflow-to-uncover-the-biosynthetic-potential-of-bacteria
#18
Maria Maansson, Nikolaj G Vynne, Andreas Klitgaard, Jane L Nybo, Jette Melchiorsen, Don D Nguyen, Laura M Sanchez, Nadine Ziemert, Pieter C Dorrestein, Mikael R Andersen, Lone Gram
Microorganisms are a rich source of bioactives; however, chemical identification is a major bottleneck. Strategies that can prioritize the most prolific microbial strains and novel compounds are of great interest. Here, we present an integrated approach to evaluate the biosynthetic richness in bacteria and mine the associated chemical diversity. Thirteen strains closely related to Pseudoalteromonas luteoviolacea isolated from all over the Earth were analyzed using an untargeted metabolomics strategy, and metabolomic profiles were correlated with whole-genome sequences of the strains...
May 2016: MSystems
https://www.readbyqxmd.com/read/27811434/hydrogen-bonding-synthons-in-lamotrigine-salts-3-5-diamino-6-2-3-dichlorophenyl-1-2-4-triazin-2-ium-2-2-carboxyphenyl-disulfanyl-benzoate-in-its-monohydrate-and-anhydrous-forms
#19
Eleonora Freire, Griselda Polla, Ricardo Baggio
Lamotrigine is a drug used in the treatment of epilepsy and related convulsive diseases. The drug in its free form is rather inadequate for pharmacological use due to poor absorption by the patient, which limits its bioavailability. On the other hand, the lamotrigine molecule is an excellent hydrogen-bonding agent and this has been exploited intensively in the search for better formulations. The formulation presently commercialized (under the brand name Lamictal) is rather complex and includes a number of anions in addition to the active pharmaceutical ingredient (API)...
November 1, 2016: Acta Crystallographica. Section C, Structural Chemistry
https://www.readbyqxmd.com/read/27804886/recent-advances-of-metallocenes-for-medicinal-chemistry
#20
Miguel M Santos, Pedro Bastos, Isabelle Catela, Karolina Zalewska, Luis C Branco
The recent advances about synthesis and application of different metallocenes for Medicinal Chemistry is reviewed. The manuscript presents the different metallocene scaffolds, with special emphasis on ferrocene derivatives, and their potential pharmaceutical application. Over the last years, the synthesis of new metallocene compounds and their biological and medical effects against some types of diseases (e.g. anti-tumoral, antibiotics, anti-viral activities) have been reported. From the medicine point of view, the attractive properties of metallocene derivatives, such as their high stability, low toxicity and appealing redox behaviours, are particularly relevant...
October 31, 2016: Mini Reviews in Medicinal Chemistry
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