Comparative QSAR modelling of 2-phenylindole-3-carbaldehyde derivatives as potential antimitotic agents
QSAR modelling was done on some 2-phenylindole-3-carbaldehyde derivatives to find out structural requirements for more active antimitotic agents. Four statistical methods were used to develop models. The results show the importance of ETSA indices, RTSA indices, IC1, SIC4, Jhetv and MSD on the activity. Electrostatic potential charges of atoms, increased surface area, and presence of bulky group along Y-axis and chlorine substitution were also found to be important.
| Medienart: |
E-Artikel |
|---|
| Erscheinungsjahr: |
2009 |
|---|---|
| Erschienen: |
2009 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:19 |
|---|---|
| Enthalten in: |
Bioorganic & medicinal chemistry letters - 19(2009), 6 vom: 15. März, Seite 1737-9 |
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Halder, Amit Kumar [VerfasserIn] |
|---|
| Links: |
|---|
| Themen: |
2-phenylindole-3-carbaldehyde |
|---|
| Anmerkungen: |
Date Completed 20.08.2009 Date Revised 09.03.2009 published: Print-Electronic Citation Status MEDLINE |
|---|
| doi: |
10.1016/j.bmcl.2009.01.081 |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
NLM186434227 |
|---|
| LEADER | 01000naa a22002652 4500 | ||
|---|---|---|---|
| 001 | NLM186434227 | ||
| 003 | DE-627 | ||
| 005 | 20231223174207.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 231223s2009 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1016/j.bmcl.2009.01.081 |2 doi | |
| 028 | 5 | 2 | |a pubmed24n0622.xml |
| 035 | |a (DE-627)NLM186434227 | ||
| 035 | |a (NLM)19217281 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 100 | 1 | |a Halder, Amit Kumar |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Comparative QSAR modelling of 2-phenylindole-3-carbaldehyde derivatives as potential antimitotic agents |
| 264 | 1 | |c 2009 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ƒaComputermedien |b c |2 rdamedia | ||
| 338 | |a ƒa Online-Ressource |b cr |2 rdacarrier | ||
| 500 | |a Date Completed 20.08.2009 | ||
| 500 | |a Date Revised 09.03.2009 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a QSAR modelling was done on some 2-phenylindole-3-carbaldehyde derivatives to find out structural requirements for more active antimitotic agents. Four statistical methods were used to develop models. The results show the importance of ETSA indices, RTSA indices, IC1, SIC4, Jhetv and MSD on the activity. Electrostatic potential charges of atoms, increased surface area, and presence of bulky group along Y-axis and chlorine substitution were also found to be important | ||
| 650 | 4 | |a Journal Article | |
| 650 | 7 | |a 2-phenylindole-3-carbaldehyde |2 NLM | |
| 650 | 7 | |a Antimitotic Agents |2 NLM | |
| 650 | 7 | |a Indoles |2 NLM | |
| 700 | 1 | |a Adhikari, Nilanjan |e verfasserin |4 aut | |
| 700 | 1 | |a Jha, Tarun |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Bioorganic & medicinal chemistry letters |d 1992 |g 19(2009), 6 vom: 15. März, Seite 1737-9 |w (DE-627)NLM09063828X |x 1464-3405 |7 nnns |
| 773 | 1 | 8 | |g volume:19 |g year:2009 |g number:6 |g day:15 |g month:03 |g pages:1737-9 |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1016/j.bmcl.2009.01.081 |3 Volltext |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a GBV_NLM | ||
| 951 | |a AR | ||
| 952 | |d 19 |j 2009 |e 6 |b 15 |c 03 |h 1737-9 | ||