Plectrabarbene, a New Abietane Diterpene from Plectranthus barbatus Aerial Parts

被引：12

作者：

Al Musayeib, Nawal M. ^{[1
]}

Amina, Musarat ^{[1
]}

Al-Hamoud, Gadah Abdulaziz ^{[1
]}

Mohamed, Gamal A. ^{[2
,3
]}

Ibrahim, Sabrin R. M. ^{[4
]}

Shabana, Samah ^{[5
]}

机构：

[1] King Saud Univ, Pharm Coll, Dept Pharmacognosy, Riyadh 11451, Saudi Arabia

[2] King Abdulaziz Univ, Fac Pharm, Dept Nat Prod & Alternat Med, Jeddah 21589, Saudi Arabia

[3] Al Azhar Univ, Fac Pharm, Dept Pharmacognosy, Assiut Branch, Assiut 71524, Egypt

[4] Assiut Univ, Dept Pharmacognosy, Fac Pharm, Assiut 71526, Egypt

[5] Misr Univ Sci & Technol MUST, Fac Pharmaceut Sci & dRug Mfg, Pharmacognosy Dept, Giza 12511, Egypt

来源：

MOLECULES | 2020年 / 25卷 / 10期

关键词：

Plectranthus barbatus; Labiatae; plectrabarbene; abietane diterpene; acetylcholinesterase inhibition; molecular docking; DRUG DISCOVERY; CONSTITUENTS; CHEMISTRY; SOFTWARE; DOCKING;

D O I：

10.3390/molecules25102365

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

A new abietane diterpene namely plectrabarbene (2), together with two known compounds: sugiol (1) and 11,14-dihydroxy-8,11,13-abietatrien-7-one (3) have been isolated from the aerial parts of Plectranthus barbatus Andr. (Labiatae). The structures of these compounds were determined by various spectral techniques (e.g., UV, IR, NMR, and FAB) and by comparison with the literature data. A molecular docking study of the isolated diterpenes (1-3) was performed with AChE to gain an insight into their AChE inhibition mechanism. The results of docking experiments revealed that the all tested compounds showed binding affinity at the active site of AchE in comparison to donepezil.

引用

页数：11

共 34 条

[1] ICM - A NEW METHOD FOR PROTEIN MODELING AND DESIGN - APPLICATIONS TO DOCKING AND STRUCTURE PREDICTION FROM THE DISTORTED NATIVE CONFORMATION [J].

ABAGYAN, R ;

TOTROV, M ;

KUZNETSOV, D .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1994, 15 (05) :488-506

[2] Chemistry of the genus Plectranthus [J].

Abdel-Mogib, M ;

Albar, HA ;

Batterjee, SM .

MOLECULES, 2002, 7 (02) :271-301

[3] Plectranthus barbatus: A Review of Phytochemistry, Ethnobotanical Uses and Pharmacology - Part 1 [J].

Alasbahi, Rawiya H. ;

Melzig, Matthias F. .

PLANTA MEDICA, 2010, 76 (07) :653-661

[4] Absorption Spectrum, Mass Spectrometric Properties, and Electronic Structure of 1,2-Benzoquinone [J].

Albarran, Guadalupe ;

Boggess, William ;

Rassolov, Vital ;

Schuler, Robert H. .

JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (28) :7470-7478

[5] CYTOTOXIC EVALUATION AND CONCURRENT ANALYSIS OF TWO DITERPENES IN THE CHLOROFORM EXTRACT OF PLECTRANTHUS BARBATUS USING A VALIDATED HPTLC-UV METHOD [J].

Amina, Musarat ;

Al-Musayeib, Nawal M. ;

Alam, Perwez ;

Aleanizy, Fadilah S. ;

Alqahtni, Fulwah Y. ;

Al-Said, Mansour S. ;

Al-Rashidi, Nada S. ;

Shakeel, Faiyaz .

BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA, 2018, 32 (03) :407-419

[6] Barbaterpene and Barbatusterol, New Constituents from Plectranthus barbatus Growing in Saudi Arabia [J].

Amina, Musarat ;

Al Musayeib, Nawal M. ;

Al-Said, Mansour S. ;

Al-Zahrani, Rania A. ;

Ibrahim, Sabrin R. M. ;

Mohamed, Gamal A. .

LETTERS IN DRUG DESIGN & DISCOVERY, 2018, 15 (08) :851-856

[7]

AMMON HPT, 1982, MED WELT, V33, P148

[8] ISOLATION AND CHARACTERIZATION OF BIOLOGICALLY ACTIVE SECONDARY METABOLITES FROM METASEQUOIA GLYPTOSTROBOIDES MIKI EX HU [J].

Bajpai, Vivek K. ;

Kang, Sun Chul .

JOURNAL OF FOOD SAFETY, 2011, 31 (02) :276-283

[9] LOCAL OPTIMA AVOIDANCE IN DEPOT LOCATION [J].

BAXTER, J .

JOURNAL OF THE OPERATIONAL RESEARCH SOCIETY, 1981, 32 (09) :815-819

[10]

Blum C, 2008, STUD COMPUT INTELL, V114, P1, DOI 10.1007/978-3-540-78295-7

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