Didanosine phosphoramidates: synthesis, docking to viral NA, antibacterial and antiviral activity
Abstract In order to increase the binding energy with haemaglutinin–neuraminidase (HN) protein of Newcastle disease virus (NDV), to improve the membrane permeability and to increase antiviral activity, modified structures of didanosine (ddI) were designed by phosphorylation and substitution with various bio-active amines. The designed derivatives revealed better binding energy values (in between −7.9 and −10.6 kcal/mol) than ddI (−7.3 kcal/mol) with HN of NDV. The docking simulations were encouraged for synthesis and screening of their antiviral activity against NDV in the chicken embryonated eggs. In vitro antibacterial activity is also evaluated for the title compounds. The title compounds exhibited three times of improved antiviral activity than that of the parent compound (ddI). In addition to this the title compounds were performed as good antibacterial agents..
| Medienart: |
Artikel |
|---|
| Erscheinungsjahr: |
2014 |
|---|---|
| Erschienen: |
2014 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:24 |
|---|---|
| Enthalten in: |
Medicinal chemistry research - 24(2014), 1 vom: 08. Juli, Seite 209-219 |
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Sekhar, Kuruva Chandra [VerfasserIn] |
|---|
| Links: |
Volltext [lizenzpflichtig] |
|---|
| Themen: |
Antibacterial activity |
|---|
| Anmerkungen: |
© Springer Science+Business Media New York 2014 |
|---|
| doi: |
10.1007/s00044-014-1073-2 |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
OLC2049368720 |
|---|
| LEADER | 01000caa a22002652 4500 | ||
|---|---|---|---|
| 001 | OLC2049368720 | ||
| 003 | DE-627 | ||
| 005 | 20230511131457.0 | ||
| 007 | tu | ||
| 008 | 200819s2014 xx ||||| 00| ||eng c | ||
| 024 | 7 | |a 10.1007/s00044-014-1073-2 |2 doi | |
| 035 | |a (DE-627)OLC2049368720 | ||
| 035 | |a (DE-He213)s00044-014-1073-2-p | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 082 | 0 | 4 | |a 540 |a 610 |q VZ |
| 084 | |a 15,3 |2 ssgn | ||
| 084 | |a PHARM |q DE-84 |2 fid | ||
| 100 | 1 | |a Sekhar, Kuruva Chandra |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Didanosine phosphoramidates: synthesis, docking to viral NA, antibacterial and antiviral activity |
| 264 | 1 | |c 2014 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ohne Hilfsmittel zu benutzen |b n |2 rdamedia | ||
| 338 | |a Band |b nc |2 rdacarrier | ||
| 500 | |a © Springer Science+Business Media New York 2014 | ||
| 520 | |a Abstract In order to increase the binding energy with haemaglutinin–neuraminidase (HN) protein of Newcastle disease virus (NDV), to improve the membrane permeability and to increase antiviral activity, modified structures of didanosine (ddI) were designed by phosphorylation and substitution with various bio-active amines. The designed derivatives revealed better binding energy values (in between −7.9 and −10.6 kcal/mol) than ddI (−7.3 kcal/mol) with HN of NDV. The docking simulations were encouraged for synthesis and screening of their antiviral activity against NDV in the chicken embryonated eggs. In vitro antibacterial activity is also evaluated for the title compounds. The title compounds exhibited three times of improved antiviral activity than that of the parent compound (ddI). In addition to this the title compounds were performed as good antibacterial agents. | ||
| 650 | 4 | |a Phosphorylated didanosine | |
| 650 | 4 | |a Neuraminidase of NDV | |
| 650 | 4 | |a Antiviral activity | |
| 650 | 4 | |a Antibacterial activity | |
| 650 | 4 | |a Docking study | |
| 650 | 4 | |a Osiris server | |
| 700 | 1 | |a Basha, S. K. Thaslim |4 aut | |
| 700 | 1 | |a Bhuvaneswar, Cherukupalle |4 aut | |
| 700 | 1 | |a Bhaskar, Baki Vijaya |4 aut | |
| 700 | 1 | |a Rajendra, Wudayagiri |4 aut | |
| 700 | 1 | |a Raju, Chamarthi Naga |4 aut | |
| 700 | 1 | |a Ghosh, S. K. |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Medicinal chemistry research |d Springer US, 1991 |g 24(2014), 1 vom: 08. Juli, Seite 209-219 |w (DE-627)170853772 |w (DE-600)1116702-6 |w (DE-576)032853815 |x 1054-2523 |7 nnns |
| 773 | 1 | 8 | |g volume:24 |g year:2014 |g number:1 |g day:08 |g month:07 |g pages:209-219 |
| 856 | 4 | 1 | |u https://doi.org/10.1007/s00044-014-1073-2 |z lizenzpflichtig |3 Volltext |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a SYSFLAG_A | ||
| 912 | |a GBV_OLC | ||
| 912 | |a FID-PHARM | ||
| 912 | |a SSG-OLC-PHA | ||
| 912 | |a SSG-OLC-DE-84 | ||
| 912 | |a SSG-OPC-PHA | ||
| 912 | |a GBV_ILN_20 | ||
| 912 | |a GBV_ILN_4012 | ||
| 912 | |a GBV_ILN_4305 | ||
| 951 | |a AR | ||
| 952 | |d 24 |j 2014 |e 1 |b 08 |c 07 |h 209-219 | ||