Articolul precedent |
Articolul urmator |
303 4 |
Ultima descărcare din IBN: 2023-05-18 12:37 |
Căutarea după subiecte similare conform CZU |
547.2:615.015 (1) |
Chimie organică (484) |
Farmacologie. Terapeutică. Toxicologie (1592) |
SM ISO690:2012 BOLOCAN (SECARA), Natalia, DUKA, Gh.. Estimation of admet properties of DFH4 and its novel derivatives. In: Life sciences in the dialogue of generations: connections between universities, academia and business community, Ed. 2, 29-30 septembrie 2022, Chişinău. Chișinău, Republica Moldova: Moldova State University, 2022, p. 206. ISBN 978-9975-159-80-7. |
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Life sciences in the dialogue of generations: connections between universities, academia and business community 2022 | ||||||
Conferința "Life sciences in the dialogue of generations: connections between universities, academia and business community" 2, Chişinău, Moldova, 29-30 septembrie 2022 | ||||||
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CZU: 547.2:615.015 | ||||||
Pag. 206-206 | ||||||
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Computer assisted prediction of absorption, distribution, metabolism, excretion and toxicity (ADMET) was performed using the SwissADME online tool, for the dihydroxyfumaric acid (DFH4) and its synthesized derivatives, which showed good antiradical activities in previous studies (Fig. 1). The colored part of the radar shows the desired physico-chemical surface suitable for oral bioavailability of the compound: LIPO (lipofilicity): -0,7 < XLOGP3 < +5,0; SIZE: 150g/mol < molecular weight < 500g/mol; POLAR (polarity): 20Å2 < TPSA < 130Å2; INSOLU (insolubility): -6 < log S (ESOL) < 0; INSATU (insaturation): 0.25 < ration of sp3 C atoms < 1; FLEX (flexibility): 0 < number of rotatable bonds < 9. All studied compounds satisfy Lipiski’s rule of five, and have a good estimated bioavailability (0.56), while Fig.1. also shows a good drug-likeness. a) DFH4 b) dimethyl 2,3- dihidroxifumarate c) (E)-methyl 2,3-dihydroxy-4-oxo-4-(phenylamino)but- 2-enoate d) 2,3-dihydroxy-N1,N4- di(pyridin-2- il)fumaramide e) (E)-3-(1H-benzo [d]imidazol-2-il)- 2,3- dihydroxiacrylic acid (a) (E)-1,2-di(1H-benzo [d]imidazol-2-il)etene-1,2- diol Fig.1. Bioavailability radars for the studied compounds. |
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Cuvinte-cheie dihydroxyfumaric acid, DPPH• assay, functional groups, newly obtained derivates, kinetic behaviors. |
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