Literature DB >> 30064294

Bioinformatics approaches for new drug discovery: a review.

Kullappan Malathi1, Sudha Ramaiah2.   

Abstract

Prolonged antibiotic therapy for the bacterial infections has resulted in high levels of antibiotic resistance. Initially, bacteria are susceptible to the antibiotics, but can gradually develop resistance. Treating such drug-resistant bacteria remains difficult or even impossible. Hence, there is a need to develop effective drugs against bacterial pathogens. The drug discovery process is time-consuming, expensive and laborious. The traditionally available drug discovery process initiates with the identification of target as well as the most promising drug molecule, followed by the optimization of this, in-vitro, in-vivo and in pre-clinical studies to decide whether the compound has the potential to be developed as a drug molecule. Drug discovery, drug development and commercialization are complicated processes. To overcome some of these problems, there are many computational tools available for new drug discovery, which could be cost effective and less time-consuming. In-silico approaches can reduce the number of potential compounds from hundreds of thousands to the tens of thousands which could be studied for drug discovery and this results in savings of time, money and human resources. Our review is on the various computational methods employed in new drug discovery processes.

Entities:  

Keywords:  Drug discovery; Molecular docking; Molecular modelling; antibiotic resistance; bacterial infections

Mesh:

Substances:

Year:  2018        PMID: 30064294     DOI: 10.1080/02648725.2018.1502984

Source DB:  PubMed          Journal:  Biotechnol Genet Eng Rev        ISSN: 0264-8725


  7 in total

1.  DABMA: A Derivative of ABMA with Improved Broad-Spectrum Inhibitory Activity of Toxins and Viruses.

Authors:  Yu Wu; Valérie Pons; Romain Noël; Sabrina Kali; Olena Shtanko; Robert A Davey; Michel R Popoff; Noël Tordo; Daniel Gillet; Jean-Christophe Cintrat; Julien Barbier
Journal:  ACS Med Chem Lett       Date:  2019-07-02       Impact factor: 4.345

2.  Vanillic Acid as a Promising Xanthine Oxidase Inhibitor: Extraction from Amomum villosum Lour and Biocompatibility Improvement via Extract Nanoemulsion.

Authors:  Qian Zhou; Xiaoyan Li; Xiaohui Wang; Dongdong Shi; Shengao Zhang; Yuqi Yin; Hanlin Zhang; Bohao Liu; Nannan Song; Yinghua Zhang
Journal:  Foods       Date:  2022-03-27

3.  Licoflavone A Suppresses Gastric Cancer Growth and Metastasis by Blocking the VEGFR-2 Signaling Pathway.

Authors:  Gong Hongxia; Jin Xiaojie; Leng Guangxian; Zhang Min; Niu Shiwei; Cao Wangjie; Zhang Han; Zeng Yuanding; Li Chenghao; Li Yaling; Su Yun; Liu Yongqi
Journal:  J Oncol       Date:  2022-04-25       Impact factor: 4.501

Review 4.  Antimicrobial Peptides Derived From Insects Offer a Novel Therapeutic Option to Combat Biofilm: A Review.

Authors:  Alaka Sahoo; Shasank Sekhar Swain; Ayusman Behera; Gunanidhi Sahoo; Pravati Kumari Mahapatra; Sujogya Kumar Panda
Journal:  Front Microbiol       Date:  2021-06-10       Impact factor: 5.640

5.  Prediction of MAYV peptide antigens for immunodiagnostic tests by immunoinformatics and molecular dynamics simulations.

Authors:  Roger Luiz Rodrigues; Gabriela De Lima Menezes; Marielena Vogel Saivish; Vivaldo Gomes Da Costa; Maristela Pereira; Marcos Lázaro Moreli; Roosevelt Alves Da Silva
Journal:  Sci Rep       Date:  2019-09-16       Impact factor: 4.379

6.  Promising 2,6,9-Trisubstituted Purine Derivatives for Anticancer Compounds: Synthesis, 3D-QSAR, and Preliminary Biological Assays.

Authors:  Cristian O Salas; Ana Maria Zarate; Vladimir Kryštof; Jaime Mella; Mario Faundez; Jose Brea; María Isabel Loza; Ivan Brito; Denisa Hendrychová; Radek Jorda; Alan R Cabrera; Ricardo A Tapia; Christian Espinosa-Bustos
Journal:  Int J Mol Sci       Date:  2019-12-25       Impact factor: 5.923

7.  Structure-based screening of natural product libraries in search of potential antiviral drug-leads as first-line treatment to COVID-19 infection.

Authors:  S J Aditya Rao; Nandini P Shetty
Journal:  Microb Pathog       Date:  2022-03-22       Impact factor: 3.848

  7 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.