An Efficient Synthesis Towards the Core of Crinipellin and Alliacol-B Along With Their Docking Studies
In this present work, we are reporting a novel route for the synthesis of the tetracyclic ring systems, which is a common core of crinipellin via oxidative dearomatization, cycloaddition and oxa- di-pi-methane rearrangement. We considered to exploring a route to tetracyclic core (1e) of Crinipellin and tricyclic core (1g) of Allicaol B through intermolecular diels alder reaction and photochemically 1,2 acyl shift. Moreover, docking study of compound 13 and 16has been investigated against AcrB multidrug efflux pump of Escherichia coli (PDB ID: 1T9U), main protease of SARS COV-2 (PDB ID: 6W63), DNA gyrase of Streptococcus pneumonia (PDB ID: 4Z2C), human estrogen receptor alpha (PDB ID: 3ERT), human lanosterol 14-alpha-demethylase (CYP51)(PDB ID: 3JUS) and cyclooxygenase-2 (Prostaglandin Synthase-2) (PDB ID: 1CX2). The obtained results herein are important for the exploitation of the therapeutic potential of these derivatives as antimicrobial, antiviral, anticancer, antifungal or anti-inflammatory agents..
| Medienart: |
|
|---|
Preprint| Erscheinungsjahr: |
2020 |
|---|---|
| Erschienen: |
2020 |
| Enthalten in: |
Preprints.org - (2020) vom: 09. Dez. Zur Gesamtaufnahme - year:2020 |
|---|
| Sprache: |
Englisch |
|---|
| Beteiligte Personen: |
Sahu, Raghaba [VerfasserIn] |
|---|
| Links: |
Volltext [kostenfrei] |
|---|
| Themen: |
|---|
| doi: |
10.20944/preprints202012.0206.v1 |
|---|
| funding: |
|
|---|---|
| Förderinstitution / Projekttitel: |
|
| PPN (Katalog-ID): |
preprintsorg019491395 |
|---|
| LEADER | 01000caa a22002652 4500 | ||
|---|---|---|---|
| 001 | preprintsorg019491395 | ||
| 003 | DE-627 | ||
| 005 | 20230429204533.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 201209s2020 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.20944/preprints202012.0206.v1 |2 doi | |
| 035 | |a (DE-627)preprintsorg019491395 | ||
| 035 | |a (preprintsorg)10.20944/preprints202012.0206 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 100 | 1 | |a Sahu, Raghaba |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a An Efficient Synthesis Towards the Core of Crinipellin and Alliacol-B Along With Their Docking Studies |
| 264 | 1 | |c 2020 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a Computermedien |b c |2 rdamedia | ||
| 338 | |a Online-Ressource |b cr |2 rdacarrier | ||
| 520 | |a In this present work, we are reporting a novel route for the synthesis of the tetracyclic ring systems, which is a common core of crinipellin via oxidative dearomatization, cycloaddition and oxa- di-pi-methane rearrangement. We considered to exploring a route to tetracyclic core (1e) of Crinipellin and tricyclic core (1g) of Allicaol B through intermolecular diels alder reaction and photochemically 1,2 acyl shift. Moreover, docking study of compound 13 and 16has been investigated against AcrB multidrug efflux pump of Escherichia coli (PDB ID: 1T9U), main protease of SARS COV-2 (PDB ID: 6W63), DNA gyrase of Streptococcus pneumonia (PDB ID: 4Z2C), human estrogen receptor alpha (PDB ID: 3ERT), human lanosterol 14-alpha-demethylase (CYP51)(PDB ID: 3JUS) and cyclooxygenase-2 (Prostaglandin Synthase-2) (PDB ID: 1CX2). The obtained results herein are important for the exploitation of the therapeutic potential of these derivatives as antimicrobial, antiviral, anticancer, antifungal or anti-inflammatory agents. | ||
| 650 | 4 | |a Chemistry | |
| 650 | 4 | |a 540 | |
| 700 | 1 | |a Mohapatra, Ranjan Kumar |e verfasserin |4 aut | |
| 700 | 1 | |a Al-Resayes, Saud I. |e verfasserin |4 aut | |
| 700 | 1 | |a Das, Debadutta |e verfasserin |4 aut | |
| 700 | 1 | |a Parhi, Pankaj K. |e verfasserin |4 aut | |
| 700 | 1 | |a Pintilie, Lucia |e verfasserin |4 aut | |
| 700 | 1 | |a Azam, Mohammad |e verfasserin |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Preprints.org |g (2020) vom: 09. Dez. |
| 773 | 1 | 8 | |g year:2020 |g day:09 |g month:12 |
| 856 | 4 | 0 | |u http://dx.doi.org/10.20944/preprints202012.0206.v1 |z kostenfrei |3 Volltext |
| 912 | |a preprintsorg | ||
| 912 | |a SSG-OLC-PHA | ||
| 951 | |a AR | ||
| 952 | |j 2020 |b 09 |c 12 | ||