Mechanism of aminothiol radioprotectors action at the molecular level

Vasilescu, D.; Broch, Henri; Rix-Montel, M.A.

doi:10.1016/0166-1280(86)80008-2

Cited by 10 publications

(3 citation statements)

References 7 publications

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“…We have shown previously by dielectric measurements, that cystearnine induces a decrease of the dielectric increment of DNA, which corresponds to a depolarization of the rod-like DNA polyelectrolyte [5]. This depolarization occurs when the radioprotector enters into the sheath containing the Manning's fraction of condensed DNA counterions.…”

Section: Electrostatic Properties Of I-i02 S Monocationmentioning

confidence: 94%

“…In fact, the active metabolite of WR-2721 is the WR-1065 free sulfhydryl form, which is able to interact with the nuclear material. Yuhas and coworkers have shown that WR-2721 is an anticancer molecule [6]; this drug can protect solid tumors and normal tissues, in a differential manner, in radiotherapy and chemotherapy and can also reduce the nephrotoxicity of cisplatin without antitumoral activity alteration [7-91. We have shown previously by spectrophotometric and dielectric measure- ments that a strong electrostatic interaction occurs between the cationic forms of these aminothiols and the phosphate sites of DNA [10-121. On the other hand, we have studied, using quantum computations, the conformations and electrostatic properties of cysteamine, methylated cysteamine, WR-2578 in free sulfhydryl form, and WR-1065 [5,[12][13][14].…”

Section: Introductionmentioning

confidence: 99%

“…On the other hand, we have studied, using quantum computations, the conformations and electrostatic properties of cysteamine, methylated cysteamine, WR-2578 in free sulfhydryl form, and WR-1065 [5,[12][13][14].…”

Section: Introductionmentioning

confidence: 99%

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Conformation and electrostatic properties quantum determination of the new radioprotector and anticancer drug I-102

Broch

Vasilescu

2009

Int. J. Quantum Chem.

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A new class of radioprotectors and anticancer agents derived from cysteamine was synthesized by Imbach and coworkers. These compounds are able to reduce the toxicity of classical aminothiols by associating cysteamine with an amino acid and by introducing an acetyl group as protector of the sulfhydryl group. We have studied the drug named 1-102, in which the amino acid residue is glycyl. The metabolite of 1-102 is the free sulhydryl one (1-102 S), which is able to interact with the genetic material in cell nuclei. The conformations of these two molecules in their monocationic form, were computed by using KILO method, then optimized by using a flexible simplex method. The ab inirio method has been used to compute the Mulliken atomic net charge distribution of 1-102 S monocation on the basis of which the electrostatic potential was drawn. Obtained results are discussed and compared with those obtained for cysteamine.

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Section: Electrostatic Properties Of I-i02 S Monocationmentioning

confidence: 94%

Section: Introductionmentioning

confidence: 99%

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Conformation and electrostatic properties quantum determination of the new radioprotector and anticancer drug I-102

Broch

Vasilescu

2009

Int. J. Quantum Chem.

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Molecular similarity in aminothiol radioprotectors: A Randi? graph approach

Vasilescu

Viani

1987

Int. J. Quantum Chem.

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This work is a continuation of our previou experimental and theoreticat investigations in the field of aminothiol radioprotectors and anticancer drugs. The best known arninothiols are cysteamine and the natural intracellular radioprotector glutathione (GSH). In this study, we present a tentative discussion of similarity in a class of aminothiols such as: cystearnine, methylafed cysteamine, cysteine, AET, WR-1065, WR-2578 S, 1-102 S , 1-143, penicillamine, and GSH, by using the Randie graph topological method. We havc used the Randit graph approach by introducing weighting factors for hetero bonds (C-0 = x , C-N = y. and C-S = z ) involved in the studied arninothiols. In which case, the paths become polynomials in variables x , y , and z , The similarity is discussed versus ( x , y , z) values, using similarity matrices, introduced as a set of euclidean distances between a pair of vectors in the n-dimensional vector space of paths or in the n-dimensional vector space of atomic indexes.

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Molecular Basis Of Radioprotection By Aminothiols

Vasilescu

1988

Cell Function and Disease

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Mechanism of aminothiol radioprotectors action at the molecular level

Cited by 10 publications

References 7 publications

Conformation and electrostatic properties quantum determination of the new radioprotector and anticancer drug I-102

Conformation and electrostatic properties quantum determination of the new radioprotector and anticancer drug I-102

Molecular similarity in aminothiol radioprotectors: A Randi? graph approach

Molecular Basis Of Radioprotection By Aminothiols

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