แจ้งเอกสารไม่ครบถ้วน, ไม่ตรงกับชื่อเรื่อง หรือมีข้อผิดพลาดเกี่ยวกับเอกสาร ติดต่อที่นี่ ==>
หากไม่มีอีเมลผู้รับให้กรอก thailis-noc@uni.net.th
หากไม่มีอีเมลผู้รับให้กรอก thailis-noc@uni.net.th
Luckhana Lawtrakul. Molecular docking investigation on antimicrobial mechanism of plumbagin derivatives. (). King Mongkut's University of Technology North Bangkok. Central Library. : , 2018.
Molecular docking investigation on antimicrobial mechanism of plumbagin derivatives
Name: Issaree Charoenpinyoying
Organization :
Thammasat University. Sirindhorn International Institute of Technology
Name: Boworn Sriyaphai
Organization :
Thammasat University. Sirindhorn International Institute of Technology
Name: Angsina Kongdee
Organization :
Thammasat University. Sirindhorn International Institute of Technology
Name: Luckhana Lawtrakul
Organization :
Thammasat University. Sirindhorn International Institute of Technology
Email :
luckhana@siit.tu.ac.th
keyword:
Plumbagin
LCSH:
Antimicrobial agents
LCSH:
Biosynthesis
-- Research
Abstract:
Plumbagin or 5-hydroxy-2-methyl-1,4-naphthoquinone (C11H8O3) is a novel inhibitor
of the growth of M. tuberculosis, the main causative agent of tuberculosis. However, the
inhibition mechanism of this compound is still not clearly clarified. Therefore, quantum
chemistry and molecular docking calculations are used to study the antimicrobial mechanism
of plumbagin and its derivatives. Plumbagin has a naphthoquinone skeleton, which is analog
to one of the intermediate in the menaquinone synthetic pathway. Menaquinone is an
essential compound that mycobacteria used for respiration and electron transportation.
Therefore, the inhibition of this bacteria specific metabolic pathway could be the
antimicrobial mechanism of plumbagin compounds. The chemical structures of plumbagin
derivatives (drug candidates) are constructed and optimized at B3LYP/6-31G** level by
GaussView6 and Gaussian16 programs, respectively. AutoDock 4.2 is used to predict how
substrates and drug candidates, bind to a receptor of known 3D structure. The inhibition
constant (Ki) and the binding energy (B.E.) are used in evaluating drug-protein interactions
King Mongkut's University of Technology North Bangkok. Central Library
Address:
BANGKOK
Email:
library@kmutnb.ac.th
Created:
2018
Modified:
2019-07-22
Issued:
2019-07-15
บทความ/Article
application/pdf
BibliograpyCitation :
In Prince of Songkla University Faculty of Science. Pure and Applied Chemistry International Conference (PACCON 2018) (pp.PH1-PH5). Songkla : Prince of Songkla University
eng
©copyrights King Mongkut's University of Technology North Bangkok
RightsAccess:
ใช้เวลา
0.043406 วินาที
Issaree Charoenpinyoying
| Title | Contributor | Type |
|---|---|---|
| Molecular docking investigation on antimicrobial mechanism of plumbagin derivatives
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Issaree Charoenpinyoying;Boworn Sriyaphai;Angsina Kongdee;Luckhana Lawtrakul | บทความ/Article |
Boworn Sriyaphai
| Title | Contributor | Type |
|---|---|---|
| Molecular docking investigation on antimicrobial mechanism of plumbagin derivatives
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Issaree Charoenpinyoying;Boworn Sriyaphai;Angsina Kongdee;Luckhana Lawtrakul | บทความ/Article |
Angsina Kongdee
| Title | Contributor | Type |
|---|---|---|
| Molecular docking investigation on antimicrobial mechanism of plumbagin derivatives
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Issaree Charoenpinyoying;Boworn Sriyaphai;Angsina Kongdee;Luckhana Lawtrakul | บทความ/Article |
Luckhana Lawtrakul
| Title | Contributor | Type |
|---|---|---|
| Structure-activity correlation study and molecular design of HIV-1 RT inhibitors
มหาวิทยาลัยเกษตรศาสตร์ Luckhana Lawtrakul | Supa Hannongbua | วิทยานิพนธ์/Thesis |
| The study of intra-molecular hydrogen bonds formation for improving of adhesive strength of wood protecting materials, phenolic resins
มหาวิทยาลัยธรรมศาสตร์ Pakorn Opaprakasit;Luckhana Lawtrakul | Thammasat University Research Fund (2008) | งานวิจัย/Research report |
| Preservation of nicotine by nanoencapsulation technique using β-cyclodextrin
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Nathasak Sinlikhitkul;Harid Pataveepaisit;Waritsara Noodang;Arayaporn Krissawong;Suriyawut Kulatee;Anotai Suksangpanomrung;Luckhana Lawtrakul;Pisanu Toochinda | บทความ/Article | |
| Molecular docking investigation on antimicrobial mechanism of plumbagin derivatives
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Issaree Charoenpinyoying;Boworn Sriyaphai;Angsina Kongdee;Luckhana Lawtrakul | บทความ/Article | |
| Preservation of plumbagin by using inclusion complex: Freeze drying recovery of inclusion complex
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Nathasak Sinlikhitkul;Punnawat Quengdaeng;Pongphak Thongpat;Apichaya Hoontong;Luckhana Lawtrakul;Pisanu Toochinda | บทความ/Article | |
| Molecular docking investigation on anti-asthmatic properties of natural compounds from Plai
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Kulpavee Jitapunkul;Orapan Poachanukoon;Pisanu Toochinda;Luckhana Lawtrakul | บทความ/Article | |
| Molecular modeling of the chiral recognition of linalool enantiomers by beta-cyclodextrin
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Sangtawan Thongkhundam;Akaramanee Tantawiriya;Jidapa Sodanil;Krit Inthajak;Pisanu Toochinda;Luckhana Lawtrakul | บทความ/Article | |
| Preparation of menthol/beta-cyclodextrin and menthol/methylated-beta-cyclodextrin inclusion complexes to enhance aqueous solubility and stability
มหาวิทยาลัยเทคโนโลยีพระจอมเกล้าพระนครเหนือ Sunhakit Saimala;Rachata Srisasanarat;Phum Chevangkool;Tana Tananilgul;Sirintra Arayawate;Nathasak Sinlikhitkul;Luckhana Lawtrakul;Pisanu Toochinda | บทความ/Article |