Literature DB >> 25051191

Chemo- and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review.

Alexey A Lagunin1, Rajesh K Goel, Dinesh Y Gawande, Priynka Pahwa, Tatyana A Gloriozova, Alexander V Dmitriev, Sergey M Ivanov, Anastassia V Rudik, Varvara I Konova, Pavel V Pogodin, Dmitry S Druzhilovsky, Vladimir V Poroikov.   

Abstract

In silico approaches have been widely recognised to be useful for drug discovery. Here, we consider the significance of available databases of medicinal plants and chemo- and bioinformatics tools for in silico drug discovery beyond the traditional use of folk medicines. This review contains a practical example of the application of combined chemo- and bioinformatics methods to study pleiotropic therapeutic effects (known and novel) of 50 medicinal plants from Traditional Indian Medicine.

Mesh:

Year:  2014        PMID: 25051191     DOI: 10.1039/c4np00068d

Source DB:  PubMed          Journal:  Nat Prod Rep        ISSN: 0265-0568            Impact factor:   13.423


  20 in total

1.  Untargeted LC-MS metabolomic studies of Asteraceae species to discover inhibitors of Leishmania major dihydroorotate dehydrogenase.

Authors:  Lucas A Chibli; Annylory L Rosa; Maria Cristina Nonato; Fernando B Da Costa
Journal:  Metabolomics       Date:  2019-04-04       Impact factor: 4.290

2.  Add-On therapy with Chinese herb medicine Bo-Er-Ning capsule (BENC) improves outcomes of gastric cancer patients: a randomized clinical trial followed with bioinformatics-assisted mechanism study.

Authors:  Boyu Pan; Jingyuan Zang; Jie He; Zhen Wang; Liren Liu
Journal:  Am J Cancer Res       Date:  2018-06-01       Impact factor: 6.166

3.  Insights into the molecular mechanisms of Polygonum multiflorum Thunb-induced liver injury: a computational systems toxicology approach.

Authors:  Yin-Yin Wang; Jie Li; Zeng-Rui Wu; Bo Zhang; Hong-Bin Yang; Qin Wang; Ying-Chun Cai; Gui-Xia Liu; Wei-Hua Li; Yun Tang
Journal:  Acta Pharmacol Sin       Date:  2017-02-27       Impact factor: 6.150

4.  Pentacyclic Triterpenoids Inhibit IKKβ Mediated Activation of NF-κB Pathway: In Silico and In Vitro Evidences.

Authors:  Kalpesh R Patil; Purusottam Mohapatra; Harun M Patel; Sameer N Goyal; Shreesh Ojha; Chanakya N Kundu; Chandragouda R Patil
Journal:  PLoS One       Date:  2015-05-04       Impact factor: 3.240

5.  Chemical composition and biological activities of trans-Himalayan alga Spirogyra porticalis (Muell.) Cleve.

Authors:  Jatinder Kumar; Priyanka Dhar; Amol B Tayade; Damodar Gupta; Om P Chaurasia; Dalip K Upreti; Kiran Toppo; Rajesh Arora; M R Suseela; Ravi B Srivastava
Journal:  PLoS One       Date:  2015-02-18       Impact factor: 3.240

6.  Global Mapping of Traditional Chinese Medicine into Bioactivity Space and Pathways Annotation Improves Mechanistic Understanding and Discovers Relationships between Therapeutic Action (Sub)classes.

Authors:  Siti Zuraidah Mohamad Zobir; Fazlin Mohd Fauzi; Sonia Liggi; Georgios Drakakis; Xianjun Fu; Tai-Ping Fan; Andreas Bender
Journal:  Evid Based Complement Alternat Med       Date:  2016-02-18       Impact factor: 2.629

7.  Analysis of the main active ingredients and bioactivities of essential oil from Osmanthus fragrans Var. thunbergii using a complex network approach.

Authors:  Le Wang; Nana Tan; Jiayao Hu; Huan Wang; Dongzhu Duan; Lin Ma; Jian Xiao; Xiaoling Wang
Journal:  BMC Syst Biol       Date:  2017-12-28

Review 8.  Antitumor Profile of Carbon-Bridged Steroids (CBS) and Triterpenoids.

Authors:  Valery M Dembitsky; Tatyana A Gloriozova; Vladimir V Poroikov
Journal:  Mar Drugs       Date:  2021-06-03       Impact factor: 5.118

Review 9.  Alkaloids in Contemporary Drug Discovery to Meet Global Disease Needs.

Authors:  Sharna-Kay Daley; Geoffrey A Cordell
Journal:  Molecules       Date:  2021-06-22       Impact factor: 4.411

10.  Assessment of the Potential Biological Activity of Low Molecular Weight Metabolites of Freshwater Macrophytes with QSAR.

Authors:  Evgeny A Kurashov; Elena V Fedorova; Julia V Krylova; Galina G Mitrukova
Journal:  Scientifica (Cairo)       Date:  2016-04-20
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