Content area
Full text
Abstract
The recent Spectral-Diagonal structure-activity relationship (SAR), Int J Chem Model. 5 (2/3) (2013) 357-367, is here tested for an important anti-HIV class of chemical compounds, of marine origin either for genuine, or SMILES- Simplified Molecular Input Line Entry System molecular forms; however, by the present Spectral-Diagonal SAR proof one may further use the actual method whenever analyticity in assessing structure-activity or reactivity-activity modeling interaction is required, i.e. for the final aim of a QSAR analysis through establishing the chemical -biological interaction mechanism.
Keywords: anti-HIV; 1,3-disubstituted uracil derivatives; QSAR, SMILES, electronegativity, chemical hardness, chemical power, electrophilicity, chemical reactivity principles, lipophilicity
(ProQuest: ... denotes formulae omitted.)
1. Introduction: Natural Marine Molecules against HIV
Pyrimidine derivatives are a class of compounds widely distributed in nature and important from the point of view of their usefulness. The presence of pyrimidine derivatives as DNA and RNA bases (thymine, cytosine, uracil, guanine and adenine) makes us considering them as vital components in existence of life. In 1969 Murchinson meteorite fell in Australia. Its composition provided to researchers valuable and very interesting information. It was shown that this meteorite contains purine (xanthine) and pyrimidine (uracil) which are from extraterrestrial origin [1]. Besides these compounds, the researchers had identified other compounds that are part of the essential classes in terrestrial biochemistry (e.g., amino acids, sugar related compounds). These findings have led researchers to assert that the organic components of the genetic code were already present in the early solar system and may have played a key role in life's origin [1]. Also this leads us to call pyrimidine derivatives (as uracil) to beprebiotic, primordial compounds [1,2].
Proof of their utility and the importance of these compounds in every day life is that pyrimidines and condensed pyrimidines were found to be the basic components for many pharmaceutical compounds and compounds that show biological activity. Evidence is that many pyrimidine derivatives were synthesized and tested for their biological and pharmacological properties; some came to be approved as an active component in medicines used to treat and relieve various disease, symptoms: risperidone - antipsychotic; thiamylal - short acting anesthetic, caffeine - the psychomotor stimulant, mild diuretic, minoxidil - vasodilator used in the treatment of alopecia, prazosin - antihypertensive, aminophylline - bronchodilator; pemirolast - antiallergic,...