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Molecular modelling of the interaction of carbocyclic analogues of netropsin and distamycin with d(CGCGAATTCGCG)2.

100%
Bielawski K., Bielawska A., Bartulewicz D., Różański A.
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2000
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vol. 47
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issue 3
855-866
EN
A molecular mechanics and molecular dynamics approach was used to examine the structure of complexes formed between the d(CGCGAATTCGCG)2 duplex and netropsin, distamycin, and four carbocyclic analogues of netropsin and distamycin (1-4). The resulting structures of the ligand-DNA model complexes and their energetics were examined. It is predicted that the compounds 1-4 should have a decreased affinity for the minor groove of AT-rich regions in comparison to netropsin and distamycin. From the energetic analysis it appears that van der Waals and electrostatic interactions are more important than specific hydrogen bonds in stabilizing the ligand-duplex complexes. We predict that compounds 1 and 2 are effectively isohelical with the DNA minor groove. The superior DNA-binding afforded by 1 and 2 in comparison to 3 and 4 results from their more effective penetration into the minor groove and smaller perturbation of molecular structure upon complex formation.
2
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Molecular modelling, synthesis and antitumour activity of carbocyclic analogues of netropsin and distamycin - new carriers of alkylating elements.

88%
Bartulewicz D., Markowska A., Wołczyński S., Dąbrowska M., Różański A.
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2000
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vol. 47
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issue 1
23-35
EN
A series of netropsin and distamycin analogues was synthesised and investigated by molecular modelling. The lowest-energy conformations of four carbocyclic lexitropsins, potential carriers of alkylating elements, were obtained using the HyperChem 4.0 program, and compared with the DNA-lexitropsin crystal structures from the Brookhaven National Laboratory Protein Data Bank. A method for synthesis of carbocyclic lexitropsins was elaborated, with the use of a nitro group or azobenzene as precursors for the aromatic amino group. The influence of methoxy group in ortho position with respect to amide groups on the activity of the new compounds was investigated. All of the compounds tested showed high antitumour activity in the standard cell line of mammalian tumour MCF-7.
3
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Synthetic analogues of netropsin and distamycin - synthesis of a new pyridine and carbocyclic analogues of the pyrrolecarboxamide antitumour antibiotics

76%
Bartulewicz D., Bielawski K., Markowska A., Zwierz K., Pućkowska A., Różański A.
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4
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Isoenzymes of N-acetyl-β-hexosaminidase in complicated pregnancy

76%
Arciuch L. P., Bielecki D., Borzym M., Południewski G., Arciszewki K., Różański A., Zwierz K.
Acta Biochimica Polonica
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1999
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vol. 46
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issue 4
977-983
EN
The activity of N-acetyl-β-hexosaminidase was found to be significantly higher in the placentas collected after delivery from women in puerperium with symptoms of prolonged pregnancy or complicated by EPH gestosis, than in placentas from normal pregnancy. Isoelectrofocusing of placenta homogenates showed the presence of isoenzymes A, P and B of N-acetyl-β-hexosaminidase. Different isoenzyme A patterns in homogenates were observed in placentas obtained from normal and prolonged pregnancies and in those complicated by EPH gestosis.
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