Literature DB >> 31696036

FlavoDb: a web-based chemical repository of flavonoid compounds.

Baban S Kolte1,2, Sanjay R Londhe1, Kamini T Bagul1, Shristi P Pawnikar1,3, Mayuri B Goundge1, Rajesh N Gacche4, Rohan J Meshram1.   

Abstract

There are many online resources that focus on chemical diversity of natural compounds, but only handful of resources exist that focus solely on flavonoid compounds and integrate structural and functional properties; however, extensive collated flavonoid literature is still unavailable to scientific community. Here we present an open access database 'FlavoDb' that is focused on providing physicochemical properties as well as topological descriptors that can be effectively implemented in deducing large scale quantitative structure property models of flavonoid compounds. In the current version of database, we present data on 1, 19,400 flavonoid compounds, thereby covering most of the known structural space of flavonoid class of compounds. Moreover, effective structure searching tool presented here is expected to provide an interactive and easy-to-use tool for obtaining flavonoid-based literature and allied information. Data from FlavoDb can be freely accessed via its intuitive graphical user interface made available at following web address: http://bioinfo.net.in/flavodb/home.html. © King Abdulaziz City for Science and Technology 2019.

Entities:  

Keywords:  Database; Drug discovery; Flavanones; Flavone; Isoflavones; Neoflavonoids; Phytochemicals; QSPR; Topological descriptor

Year:  2019        PMID: 31696036      PMCID: PMC6823394          DOI: 10.1007/s13205-019-1962-7

Source DB:  PubMed          Journal:  3 Biotech        ISSN: 2190-5738            Impact factor:   2.406


  53 in total

1.  Property distribution of drug-related chemical databases.

Authors:  T I Oprea
Journal:  J Comput Aided Mol Des       Date:  2000-03       Impact factor: 3.686

2.  Fast calculation of van der Waals volume as a sum of atomic and bond contributions and its application to drug compounds.

Authors:  Yuan H Zhao; Michael H Abraham; Andreas M Zissimos
Journal:  J Org Chem       Date:  2003-09-19       Impact factor: 4.354

3.  Flavonoids as a scaffold for development of novel anti-angiogenic agents: An experimental and computational enquiry.

Authors:  R N Gacche; R J Meshram; H D Shegokar; D S Gond; S S Kamble; V N Dhabadge; B G Utage; K K Patil; R A More
Journal:  Arch Biochem Biophys       Date:  2015-04-30       Impact factor: 4.013

4.  Inflation of correlation in the pursuit of drug-likeness.

Authors:  Peter W Kenny; Carlos A Montanari
Journal:  J Comput Aided Mol Des       Date:  2013-01-10       Impact factor: 3.686

5.  Luteolin acts as a radiosensitizer in non‑small cell lung cancer cells by enhancing apoptotic cell death through activation of a p38/ROS/caspase cascade.

Authors:  Hyun-Ji Cho; Kwang-Chul Ahn; Jae Yeon Choi; Sang-Gu Hwang; Wun-Jae Kim; Hong-Duck Um; Jong Kuk Park
Journal:  Int J Oncol       Date:  2015-01-09       Impact factor: 5.650

6.  Molecular properties that influence the oral bioavailability of drug candidates.

Authors:  Daniel F Veber; Stephen R Johnson; Hung-Yuan Cheng; Brian R Smith; Keith W Ward; Kenneth D Kopple
Journal:  J Med Chem       Date:  2002-06-06       Impact factor: 7.446

7.  Inhibition of intestinal and renal Na+-glucose cotransporter by naringenin.

Authors:  Jian Mei Li; Chun Tao Che; Clara B S Lau; Po Sing Leung; Christopher H K Cheng
Journal:  Int J Biochem Cell Biol       Date:  2005-10-26       Impact factor: 5.085

8.  Naringenin up-regulates the expression of death receptor 5 and enhances TRAIL-induced apoptosis in human lung cancer A549 cells.

Authors:  Cheng-Yun Jin; Cheol Park; Hye Jin Hwang; Gi-Young Kim; Byung Tae Choi; Wun-Jae Kim; Yung Hyun Choi
Journal:  Mol Nutr Food Res       Date:  2011-02       Impact factor: 5.914

9.  InChI - the worldwide chemical structure identifier standard.

Authors:  Stephen Heller; Alan McNaught; Stephen Stein; Dmitrii Tchekhovskoi; Igor Pletnev
Journal:  J Cheminform       Date:  2013-01-24       Impact factor: 5.514

10.  Molecular polarizability anisotropy of liquid water revealed by terahertz-induced transient orientation.

Authors:  Peter Zalden; Liwei Song; Xiaojun Wu; Haoyu Huang; Frederike Ahr; Oliver D Mücke; Joscha Reichert; Michael Thorwart; Pankaj Kr Mishra; Ralph Welsch; Robin Santra; Franz X Kärtner; Christian Bressler
Journal:  Nat Commun       Date:  2018-05-30       Impact factor: 14.919

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