-
Virtual screening yields inhibitors of novel antifungal drug target, benzoate 4-monooxygenaseBerne, Sabina ...Fungal CYP53 enzymes are highly conserved proteins, involved in phenolic detoxification and have no homologues in higher eukaryotes, rendering them favorable drug targets. Aiming to discover novel ... CYP53 inhibitors, we employedtwo parallel virtual screening protocols and evaluated highest scoringhit compounds by analyzing the spectral binding interactions, by surveying the antifungal activity, and assessing the inhibition of catalytic activity. Based on combined results, we selected 3-methyl-4-(1H-pyrrol-1-yl)benzoic acid (compound 2) as the best candidate forhit-to-lead follow-up in the antifungal drug discovery process.Vir: Journal of chemical information and modeling. - ISSN 1549-9596 (Vol. 52, iss. 11, 2012, str. 3053-3063)Vrsta gradiva - članek, sestavni del ; neleposlovje za odrasleLeto - 2012Jezik - angleškiCOBISS.SI-ID - 30257369
Avtor
Berne, Sabina |
Podobnik, Barbara |
Šamec, Neja, 1983- |
Novak, Metka, biokemija, 1985- |
Kraševec, Nada |
Turk, Samo |
Korošec, Branka |
Lah, Ljerka, 1976- |
Šuligoj, Erika |
Stojan, Jure, 1956- |
Gobec, Stanislav, 1970- |
Komel, Radovan
Teme
Ascomycetes |
Enzymology |
Drug Effects |
Antifungal Agents |
Cytochrome P-450 |
Lanosterol |
Oxidoreductases |
Benzoates |
Agonists |
Binding Sites |
Spectrum Analysis |
Computer Simulation |
Citokrom P-450 |
Antimikotiki |
Lanosterol |
Oksidoreduktaze |
Spektralna analiza |
Benzoati |
Računalniška simulacija |
Mesta vezave
Vnos na polico
Trajna povezava
- URL:
Faktor vpliva
Dostop do baze podatkov JCR je dovoljen samo uporabnikom iz Slovenije. Vaš trenutni IP-naslov ni na seznamu dovoljenih za dostop, zato je potrebna avtentikacija z ustreznim računom AAI.
Leto | Faktor vpliva | Izdaja | Kategorija | Razvrstitev | ||||
---|---|---|---|---|---|---|---|---|
JCR | SNIP | JCR | SNIP | JCR | SNIP | JCR | SNIP |
Baze podatkov, v katerih je revija indeksirana
Ime baze podatkov | Področje | Leto |
---|
Povezave do osebnih bibliografij avtorjev | Povezave do podatkov o raziskovalcih v sistemu SICRIS |
---|---|
Berne, Sabina | 21407 |
Podobnik, Barbara | 20681 |
Šamec, Neja, 1983- | 33735 |
Novak, Metka, biokemija, 1985- | 32116 |
Kraševec, Nada | 00385 |
Turk, Samo | 29773 |
Korošec, Branka | 21507 |
Lah, Ljerka, 1976- | 23473 |
Šuligoj, Erika | |
Stojan, Jure, 1956- | 03723 |
Gobec, Stanislav, 1970- | 15284 |
Komel, Radovan | 06135 |
Izberite prevzemno mesto:
Prevzem gradiva po pošti
Obvestilo
Gesla v Splošnem geslovniku COBISS
Izbira mesta prevzema
Mesto prevzema | Status gradiva | Rezervacija |
---|
Prosimo, počakajte trenutek.