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https://www.readbyqxmd.com/read/28645178/ecological-imperatives-for-aquatic-carbon-dioxide-concentrating-mechanisms
#1
Stephen C Maberly, Brigitte Gontero
In aquatic environments, the concentration of inorganic carbon is spatially and temporally variable and CO2 can be substantially oversaturated or depleted. Depletion of CO2 plus low rates of diffusion cause inorganic carbon to be more limiting in aquatic than terrestrial environments, and the frequency of species with a CO2-concentrating mechanism (CCM), and their contribution to productivity, is correspondingly greater. Aquatic photoautotrophs may have biochemical or biophysical CCMs and exploit CO2 from the sediment or the atmosphere...
June 22, 2017: Journal of Experimental Botany
https://www.readbyqxmd.com/read/28645089/drug-resistance-mechanism-of-l10f-l10f-n88s-and-l90m-mutations-in-crf01_ae-hiv-1-protease-molecular-dynamics-simulations-and-binding-free-energy-calculations
#2
C S Vasavi, Ramasamy Tamizhselvi, Punnagai Munusami
HIV-1 protease plays a crucial role in viral replication and maturation, which makes it one of the most attractive targets for anti-retroviral therapy. The majority of HIV infections in developing countries are due to non-B subtype. Subtype AE is spreading rapidly and infecting huge population worldwide. The mutations in the active site of subtype AE directly impair the interactions with the inhibitor. The non-active site mutations influence the binding of the inhibitor indirectly and their resistance mechanism is not well understood...
June 8, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28644987/thiophene-thiazole-benzene-replacement-on-guanidine-derivatives-targeting-%C3%AE-2-adrenoceptors
#3
Aoife Flood, Cristina Trujillo, Goar Sanchez-Sanz, Brendan Kelly, Carolina Muguruza, Luis F Callado, Isabel Rozas
Searching for improved antagonists of α2-adrenoceptors, a thorough theoretical study comparing the aromaticity of phenyl-, pyridinyl-, thiophenyl- and thiazolylguanidinium derivatives has been carried out [at M06-2X/6-311++G(p,d) computational level] confirming that thiophene and thiazole will be good 'ring equivalents' to benzene in these guanidinium systems. Based on these results, a small but chemically diverse library of guanidine derivatives (15 thiophenes and 2 thiazoles) were synthesised to explore the effect that the bioisosteric change has on affinity and activity at α2-adrenoceptors in comparison with our previously studied phenyl derivatives...
June 6, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28644986/designing-novel-inhibitors-against-histone-acetyltransferase-hat-%C3%A2-gcn5-of-plasmodium-falciparum
#4
Amarjeet Kumar, Krishanu Bhowmick, Kunwar Somesh Vikramdeo, Neelima Mondal, Naidu Subbarao, Suman Kumar Dhar
During active proliferation phase of intra-erythrocytic cycle, the genome of P. falciparum is regulated epigenetically and evolutionary conserved parasite-specific histone proteins are extensively acetylated. The reversible process of lysine acetylation, causing transcriptional activation and its deacetylation, causing transcriptional repression is regulated by balanced activities of HATs and HDACs. They are also known to regulate antigenic variations and gametocytic conversion in P. falciparum. These histone modifying enzymes have been identified as potential targets for development of anitmalarials in literature...
June 10, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28644895/floristic-characteristics-and-affinities-in-lao-pdr-with-a-reference-to-the-biogeography-of-the-indochina-peninsula
#5
Hua Zhu
The flora of Laos is composed of 5,005 species in 1,373 genera and 188 families of seed plants. Floristic and geographical attributes of the flora were analyzed. Tropical floristic elements at the family and generic levels contributed a majority (62.23% of the families and 82.30% of the genera) of the flora, of which the dominant geographical elements were pantropical distribution (42.02% of families) and tropical Asian distribution (30.08% of genera). This revealed that the flora of Lao PDR is tropical in nature and has a conspicuously tropical Asian affinity...
2017: PloS One
https://www.readbyqxmd.com/read/28644829/swapping-the-n-and-c-terminal-domains-of-human-apolipoprotein-e3-and-ai-reveals-insights-into-their-structure-activity-relationship
#6
Mark T Lek, Siobanth Cruz, Nnejiuwa U Ibe, Wendy H J Beck, John K Bielicki, Paul M M Weers, Vasanthy Narayanaswami
Apolipoprotein (apo) E3 and apoAI are exchangeable apolipoproteins that play a dominant role in regulating plasma lipoprotein metabolism. ApoE3 (299 residues) is composed of an N-terminal (NT) domain bearing a 4-helix bundle and a C-terminal (CT) domain bearing a series of amphipathic α-helices. ApoAI (243 residues) also comprises a highly helical NT domain and a less structured CT tail. The objective of this study was to understand their structural and functional role by generating domain swapped chimeras: apoE3-NT/apoAI-CT and apoAI-NT/apoE-CT...
2017: PloS One
https://www.readbyqxmd.com/read/28644714/genome-mining-in-silico-validation-and-phase-selection-of-a-novel-aldo-keto-reductase-from-candida-glabratea-for-biotransformation
#7
Souvik Basak, Nanda Gopal Sahoo, Angayar K Pavanasam
Previously, we published cloning, over-expression, characterization and subsequent exploitation of a carbonyl reductase (cr) gene, belonging to general family aldo-keto reductase from Candida glabrata CBS138 to convert keto ester (COBE) to a chiral alcohol (ethyl-4-chloro-3-hydroxybutanoate or CHBE). Exploiting global transcription factor CRP, rDNA and transporter engineering, we have improved batch production of CHBE by trinomial bioengineering. Herein, we present the exploration of cr gene in Candida glabrata CBS138 through genome miningapproach, in silico validation of its activity and selection of its biocatalytic phase...
June 23, 2017: Bioengineered
https://www.readbyqxmd.com/read/28644630/expanding-the-therapeutic-potential-of-the-iron-chelator-deferasirox-in-the-development-of-aqueous-stable-ti-iv-anticancer-complexes
#8
Sergio A Loza-Rosas, Alexandra M Vázquez-Salgado, Kennett I Rivero, Lenny J Negrón, Yamixa Delgado, Josué A Benjamín-Rivera, Angel L Vázquez-Maldonado, Timothy B Parks, Charlene Munet-Colón, Arthur D Tinoco
The recent X-ray structure of titanium(IV)-bound human serum transferrin (STf) exhibiting citrate as a synergistic anion reveals a difference in Ti(IV) coordination versus iron(III), the metal endogenously delivered by the protein to cells. This finding enriches our bioinspired drug design strategy for Ti(IV)-based anticancer therapeutics, which applies a family of Fe(III) chelators termed chemical transferrin mimetic (cTfm) ligands to inhibit Fe bioavailability in cancer cells. Deferasirox, a drug used for iron overload disease, is a cTfm ligand that models STf coordination to Fe(III), favoring Fe(III) binding versus Ti(IV)...
June 23, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28644563/gas-phase-dissociation-study-of-erythrinian-alkaloids-by-electrospray-ionization-mass-spectrometry-and-computational-methods
#9
T Guaratini, L G P Feitosa, D B Silva, N P Lopes, J L C Lopes, R Vessecchi
Alkaloids from plants of the genus Erythrina display important biological activities, including anxiolytic action. Characterization of these alkaloids by mass spectrometry (MS) has contributed to the construction of a spectral library, has improved understanding of their structures, and has supported the proposal of fragmentation mechanisms in light of density functional calculations (DFT). In this study, we have used low- and high-resolution MS(n) analyses to investigate the fragmentation patterns of erythrinian alkaloids; we have employed the B3LYP/6-31+G(d,p) model to obtain their reactive sites...
June 23, 2017: Journal of Mass Spectrometry: JMS
https://www.readbyqxmd.com/read/28644553/structural-insights-into-the-inclusion-complexes-between-clomiphene-citrate-and-%C3%AE-cyclodextrin-the-mechanism-of-preferential-isomeric-selection
#10
Arti Maheshwari, Harish Saraswat, Santosh Kumar Upadhyay
A major challenge in pharmaceuticals for clinical applications is to alter the solubility, stability, and toxicity of drug molecules in living systems. Cyclodextrins (CDs) have the ability to form host-guest inclusion complexes with pharmaceuticals for further development of new drug formulations. The inclusion complex of clomiphene citrate (CL), a poorly water-soluble drug, with native β-cyclodextrin (β-CD) was characterized by a one and two-dimensional nuclear magnetic resonance (NMR) spectroscopic approach and also by molecular docking techniques...
June 23, 2017: Chirality
https://www.readbyqxmd.com/read/28644480/a-polymer-nanoparticle-with-engineered-affinity-for-a-vascular-endothelial-growth-factor-vegf165
#11
Hiroyuki Koide, Keiichi Yoshimatsu, Yu Hoshino, Shih-Hui Lee, Ai Okajima, Saki Ariizumi, Yudai Narita, Yusuke Yonamine, Adam C Weisman, Yuri Nishimura, Naoto Oku, Yoshiko Miura, Kenneth J Shea
Protein affinity reagents are widely used in basic research, diagnostics and separations and for clinical applications, the most common of which are antibodies. However, they often suffer from high cost, and difficulties in their development, production and storage. Here we show that a synthetic polymer nanoparticle (NP) can be engineered to have many of the functions of a protein affinity reagent. Polymer NPs with nM affinity to a key vascular endothelial growth factor (VEGF165) inhibit binding of the signalling protein to its receptor VEGFR-2, preventing receptor phosphorylation and downstream VEGF165-dependent endothelial cell migration and invasion into the extracellular matrix...
July 2017: Nature Chemistry
https://www.readbyqxmd.com/read/28644392/development-of-bone-targeting-drugs
#12
REVIEW
Molly Stapleton, Kazuki Sawamoto, Carlos J Alméciga-Díaz, William G Mackenzie, Robert W Mason, Tadao Orii, Shunji Tomatsu
The skeletal system, comprising bones, ligaments, cartilage and their connective tissues, is critical for the structure and support of the body. Diseases that affect the skeletal system can be difficult to treat, mainly because of the avascular cartilage region. Targeting drugs to the site of action can not only increase efficacy but also reduce toxicity. Bone-targeting drugs are designed with either of two general targeting moieties, aimed at the entire skeletal system or a specific cell type. Most bone-targeting drugs utilize an affinity to hydroxyapatite, a major component of the bone matrix that includes a high concentration of positively-charged Ca(2+)...
June 23, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/28644391/molecular-structure-affinity-relationship-of-flavonoids-in-lotus-leaf-nelumbo-nucifera-gaertn-on-binding-to-human-serum-albumin-and-bovine-serum-albumin-by-spectroscopic-method
#13
Xiaosheng Tang, Ping Tang, Liangliang Liu
Lotus leaf has gained growing popularity as an ingredient in herbal formulations due to its various activities. As main functional components of lotus leaf, the difference in structure of flavonoids affected their binding properties and activities. In this paper, the existence of 11 flavonoids in lotus leaf extract was confirmed by High Performance Liquid Chromatography (HPLC) analysis and 11 flavonoids showed various contents in lotus leaf. The interactions between lotus leaf extract and two kinds of serum albumins (human serum albumin (HSA) and bovine serum albumin (BSA)) were investigated by spectroscopic methods...
June 23, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28644085/pharmacokinetics-of-a-sustained-release-formulation-of-buprenorphine-after-intramuscular-and-subcutaneous-administration-to-american-kestrels-falco-sparverius
#14
David Sanchez-Migallon Guzman, Heather K Knych, Glenn H Olsen, Joanne R Paul-Murphy
Previous studies have validated the clinical use of opioids with μ-receptor affinities for pain management in raptors. Buprenorphine appears to have a longer duration of action and minimal adverse effects when compared to other opioids in American kestrels ( Falco sparverius ). To determine the pharmacokinetics of a sustained release formulation of buprenorphine in kestrels, we administered a commercially available product (Buprenorphine SR-LAB; Wildlife Pharmaceuticals, Windsor, CO, USA) intramuscularly and subcutaneously to adult kestrels in a partial-crossover experimental design study...
June 2017: Journal of Avian Medicine and Surgery
https://www.readbyqxmd.com/read/28643870/type-iii-metacaspases-calcium-dependent-activity-proposes-new-function-for-the-p10-domain
#15
Marina Klemenčič, Christiane Funk
Metacaspases are a subgroup of caspase homologues represented in bacteria, algae and plants. Although type I and type II metacaspases are present in plants, recently discovered and uncharacterized type III metacaspases can only be found in algae which have undergone secondary endosymbiosis. We analysed the expression levels of all 13 caspase homologues in the cryptophyte Guillardia theta in vivo and biochemically characterized its only type III metacaspase, GtMC2, in vitro. Type III metacaspase GtMC2 was shown to be an endopeptidase with a preference for basic amino acids in the P1 position, which exhibited specific N-terminal proteolytic cleavage for full catalytic efficiency...
June 23, 2017: New Phytologist
https://www.readbyqxmd.com/read/28643580/cyclophilins-less-studied-proteins-with-critical-roles-in-pathogenesis
#16
Khushwant Singh, Mark Winter, Miloslav Zouhar, Pavel Rysanek
Cyclophilins (EC 5.2.1.8) (CYPs) belong to a subgroup of proteins known as immunophilins, which also include FK-506 binding proteins (FKBPs) and parvulins. Members of the immunophilins have two main characteristic properties: I) peptidyl-prolyl cis-trans isomerase activity (PPIases) and II) the ability to bind immunosuppressant molecules of fungal origin. Cyclophilins are some of the most conserved proteins present in eukaryotes and prokaryotes, and they have been implicated in diverse cellular processes and responses to multiple biotic and abiotic stresses...
June 23, 2017: Phytopathology
https://www.readbyqxmd.com/read/28643406/prussian-blue-nanocubes-with-an-open-framework-structure-coated-with-pedot-as-high-capacity-cathodes-for-lithium-sulfur-batteries
#17
Dawei Su, Michael Cortie, Hongbo Fan, Guoxiu Wang
It is shown that Prussian blue analogues (PBAs) can be a very competitive sulfur host for lithium-sulfur (Li-S) batteries. Sulfur stored in the large interstitial sites of a PBA host can take advantage of reversible and efficient insertion/extraction of both Li(+) and electrons, due to the well-trapped mobile dielectron redox centers in the well-defined host. It is demonstrated that Na2 Fe[Fe(CN)6 ] has a large open framework, and as a cathode, it both stores sulfur and acts as a polysulfide diffusion inhibitor based on the Lewis acid-base bonding effect...
June 23, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28643277/the-role-of-solubility-on-the-rejection-of-trace-organics-by-nanofiltration-membrane-exemplified-with-disinfection-by-products
#18
Fan-Xin Kong, Xiao-Mao Wang, Hong-Wei Yang, Jin-Fu Chen, Chun-Mei Guo, Tong Zhang, Yuefeng F Xie
Interactions of trace organic compounds (TOrCs) with polymeric nanofiltration (NF) membrane can affect their rejection. It is desirable to investigate whether solubility which depends on the free energy of interaction between these solutes and water correlates with rejection/adsorption and the potential to be incorporated in the partitioning terms of current NF model. A total of ten neutral disinfection by-products (DBPs) were selected as the model compounds for TOrCs to comprehensively investigate the role of solubility on rejection and adsorption...
June 22, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28643238/characterization-of-the-complex-involved-in-regulating-v-atpase-activity-of-the-vacuolar-and-endosomal-membrane
#19
REVIEW
Zhenyu Zhang, Xiaojiao Wang, Tangjie Gao, Chunyin Gu, Fubao Sun, Lin Yu, Jinguang Hu
Regulator of the H(+)-ATPase of the vacuolar and endosomal membranes (RAVE) is essential for the reversible assembly of H(+)-ATPase. RAVE primarily consists of three subunits: Rav1p, Rav2p and Skp1p. To characterize these subunits, in this study, four strains derived from Saccharomyces cerevisiae BY4742 were constructed with a FLAG tag on the Rav1p and Rav2p subunits. Then, the corresponding RAVE containing complex was isolated by affinity purification. Western blot and MALDI-TOF mass spectrometry analyses showed that the RAVE complex contains not only the known V1-ATPase subunits (Vma1p and Vma2p) but also a newly found Leu1p that interacts with the RAVE subunit...
June 22, 2017: Journal of Bioenergetics and Biomembranes
https://www.readbyqxmd.com/read/28643161/nonlinear-biotic-ligand-model-for-assessing-alleviation-effects-of-ca-mg-and-k-on-cd-toxicity-to-soybean-roots
#20
Bo-Ching Chen, Pin-Jie Wang, Pei-Chi Ho, Kai-Wei Juang
Developing a nonlinear biotic ligand model (BLM) that considers the geometrical constraints for binding of different cations on biotic ligands will provide more reliable details about the hypothetical mechanism governing the alleviation of cadmium (Cd) toxicity by coexistent cations. Soybean seedlings under Cd stress produced by various activities of coexistent cations such as calcium (Ca(2+)), magnesium (Mg(2+)), and potassium (K(+)) were hydroponically assayed for Cd toxicity to soybean roots. The Cd(2+) activity resulting in 50% reduction of root elongation (RE), EA 50, was used for assessing the Cd toxicity to the soybean seedling...
June 22, 2017: Ecotoxicology
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