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1.
Shubhandra Tripathi Akhil Kumar B. Sathish Kumar Arvind S. Negi 《Journal of biomolecular structure & dynamics》2016,34(6):1232-1240
Microtubule stabilizers provide an important mode of treatment via mitotic cell arrest of cancer cells. Recently, we reported two novel neolignans derivatives Cmp10 and Cmp19 showing anticancer activity and working as microtubule stabilizers at micromolar concentrations. In this study, we have explored the binding site, mode of binding, and stabilization by two novel microtubule stabilizers Cmp10 and Cmp19 using in silico molecular docking, molecular dynamics (MD) simulation, and binding free energy calculations. Molecular docking studies were performed to explore the β-tubulin binding site of Cmp10 and Cmp19. Further, MD simulations were used to probe the β-tubulin stabilization mechanism by Cmp10 and Cmp19. Binding affinity was also compared for Cmp10 and Cmp19 using binding free energy calculations. Our docking results revealed that both the compounds bind at Ptxl binding site in β-tubulin. MD simulation studies showed that Cmp10 and Cmp19 binding stabilizes M-loop (Phe272-Val288) residues of β-tubulin and prevent its dynamics, leading to a better packing between α and β subunits from adjacent tubulin dimers. In addition, His229, Ser280 and Gln281, and Arg278, Thr276, and Ser232 were found to be the key amino acid residues forming H-bonds with Cmp10 and Cmp19, respectively. Consequently, binding free energy calculations indicated that Cmp10 (?113.655 kJ/mol) had better binding compared to Cmp19 (?95.216 kJ/mol). This study provides useful insight for better understanding of the binding mechanism of Cmp10 and Cmp19 and will be helpful in designing novel microtubule stabilizers. 相似文献
2.
Summary The recent addition of restriction endonucleases in obtaining selective bands in the human genome has added a new dimension to molecular genetics. However, a considerable discrepancy exists in banding patterns produced by AluI in chromosomes 19 and 20, by MboI in chromosomes 4, 5, 8, 21 and 22 and by RsaI in chromosomes 12, 21 and 22. The principal causes of these differences are highlighted. 相似文献
3.
Arvind Kumar Bhatt Tek Chand Bhalla Hari Om Agrawal N. Sharma 《Letters in applied microbiology》1992,15(1):1-4
An extracellular chitosanase produced by Rhodotorula gracilis CFR-1 that catalyses a limited degradation of chitosan with no detectable generation of glucosamine or reducing groups was identified. Ultracentrifugation, polyacrylamide gel electrophoresis and gel permeation studies suggest that chitosan of average molecular mass 36000 Da was reduced by the enzymic catalysis to nearly one-fourth this size without further hydrolysis of the products. The enzyme, produced constitutively by this yeast, was partially purified and some of its properties were studied. 相似文献
4.
The production of antimicrobial phytoalexins is one of the best-known inducible defence responses following microbial infection of plants or treatment with elicitors. In the legume soybean (Glycine max L.), 1,3-1,6--glucans derived from the fungal pathogen Phytophthora sojae have been identified as potent elicitors of the synthesis of the phytoalexin, glyceollin. Recently it has been reported that during symbiotic interaction between soybean and the nitrogen-fixing bacterium Bradyrhizobium japonicum USDA 110 the bacteria synthesize cyclic 1,3-1,6--glucans. Here we demonstrate that both the fungal and the bacterial -glucans are ligands of -glucan-binding sites which are putative receptors for the elicitor signal compounds in soybean roots. Whereas the fungal -glucans stimulate phytoalexin synthesis at low concentrations, the bacterial cyclic 1,3-1,6--glucans appear to be inactive even at relatively high concentrations. Competition studies indicate that increasing concentrations of the bacterial 1,3-1,6--glucans progressively inhibit stimulation of phytoalexin synthesis in a bioassay induced by the fungal 1,3-1,6--glucans. Another type of cyclic -glucan, a 1,2--glucan from Rhizobium meliloti, that does not nodulate on soybean, seems to be inactive as elicitor and as ligand of the -glucan-binding sites. These results may indicate a novel mechanism for a successful plant-symbiont interaction by suppressing the plant's defence response.Abbreviations HG-APEA
1-[2-(4-aminophenyl)ethyl]amino-l-[hexaglucosyl]deoxyglucitol
- HG-AzPEA
l-[2-(4-azidophenyl)-ethyl]amino-l-[hexaglucosyl]deoxyglucitol
- IC50
concentration for half-maximal displacement
We thank Ines Arlt for excellent technical assistance. This work was supported by the Deutsche Forschungsgemeinschaft (SFB 369), the Bundesministerium für Bildung, Wissenschaft, Forschung und Technologie, Fonds der Chemischen Industrie (J.E.), and USDA CSRS NRI Competitive Research grant 93373059233 (A.A.B.). 相似文献
5.
6.
Ferdinand Bohlmann Karl-Heinz Knoll Christa Zdero Pradip Kumar Mahanta Michael Grenz Albert Suwita Dorothea Ehlers Ngo Le Van Wolf-Rainer Abraham Arvind Anant Natu 《Phytochemistry》1977,16(7):965-985
Investigation of about 50 Senecio species has afforded many new substances, in addition to known compounds. Present in these plants are 23 fura 相似文献
7.
Ferdinand Bohlmann Pradip K. Mahanta Arvind A. Natu Robert M. King Harold Robinson 《Phytochemistry》1978,17(3):471-474
The investigation of two Isocarpha species has yielded eight new germacranolides most of them belonging to the heliangolides. In addition to known p-hydroxyacetophenone-derivatives, a new dihydroeuparine derivative was isolated. The chemotaxonomical aspects are discussed. 相似文献
8.
In vivo and in vitro activities of nitrate reductase were assayedin Crotalaria juncea pollen suspension cultures. This enzymewas found to be substrate-inducible and enhanced activity wasobserved when it was extracted with cysteine buffer or incubatedwith NADH (0.6 mM) at 25?C or when the germinated pollen grainswere treated with red light for 10 min. Enzymes of ammonia assimilation,glutamate dehydrogenase and glutamate synthetase, and also thepentose phosphate-shunt enzyme, glucose-6-phosphate dehydrogenase,which catalyzes the step that provides reducing power to thesystem, are described. (Received October 20, 1977; ) 相似文献
9.
Arvind K. Virmani Bashoo Naziruddin Vinay C. Desai Jon P. Lowry Donald C. Graves Goverdhan P. Sachdev 《In vitro cellular & developmental biology. Animal》1992,28(2):120-127
Summary The purpose of this investigation was to provide evidence for the secretion of high molecular weight mucins, CTM-A and CTM-B,
in primary culture of canine tracheal epithelial (CTE) cells. The cells were isolated from tracheas of mongrel dogs by pronase
treatment. Primary cultures of the epithelial cells were established using ICN cellagen inserts in Dulbecco’s modified Eagle’s/F12
medium supplemented with growth factors and could be maintained for up to 23 days. The evidence for the mucin secretion in
culture medium and their localization in the cells was established by a) positive immunocytochemical staining using specific
antibodies developed against purified native as well as deglycosylated CTM-A and CTM-B; b) incorporation of labeled amino
acids, followed by electrophoresis and autoradiography detection of glycoconjugates purified from the culture medium; c) comparison
of the amino acid compositions of mucin purified from canine tracheal pouch secretions and that purified from the culture
medium; and d) Western blot analyses using specific polyclonal antibodies directed against deglycosylated CTM-A and CTM-B.
Immunoaffinity purified secreted labeled glycoconjugates were resistant to hyaluronidase treatment. The effects of cyclic
AMP (1 × 10−5
M), dibutyryl cyclic AMP (1 × 10−5
M), 8-bromocyclic AMP (1 × 10−5
M), and prostaglandin E1 (1 × 10−6
M) on mucin secretion by CTE cells were also investigated. Secretion of mucins by CTE cells in culture was considerably more
enhanced by 8-bromocyclic AMP than that observed for other secretagogues used in this study. 相似文献
10.
A new variant of hereditary hemolytic anemia in a family due to high adenosine triphosphate (ATP) is reported. The increase in ATP levels varied from 83 to 105% in the family members. Low 2,3-diphosphoglycerate levels and low 2,3-diphosphoglyceromutase activity were observed in three family members, with normal glucose-6-phosphate dehydrogenase and pyruvate kinase activity. 相似文献