Original Research

Published on 18 Oct 2024

Identification of novel drug targets for Helicobacter pylori: structure-based virtual screening of potential inhibitors against DAH7PS protein involved in the shikimate pathway

in Drug Discovery in Bioinformatics

Narjes Noori Goodarzi
Mahshid Khazani Asforooshani
Behzad Shahbazi
Nayereh Rezaie Rahimi
Farzad Badmasti

Frontiers in Bioinformatics

doi 10.3389/fbinf.2024.1482338

736 views

Methods

Published on 23 Sep 2024

QSPRmodeler - An open source application for molecular predictive analytics

in Drug Discovery in Bioinformatics

Rafał A. Bachorz
Damian Nowak
Marcin Ratajewski

Frontiers in Bioinformatics

doi 10.3389/fbinf.2024.1441024

472 views

Original Research

Published on 06 Sep 2024

Molecular docking and molecular dynamic simulation studies to identify potential terpenes against Internalin A protein of Listeria monocytogenes

in Drug Discovery in Bioinformatics

Deepasree K
Subhashree Venugopal

Frontiers in Bioinformatics

doi 10.3389/fbinf.2024.1463750

804 views

Original Research

Published on 09 Aug 2024

In silico studies of benzothiazole derivatives as potential inhibitors of Anopheles funestus and Anopheles gambiae trehalase

in Drug Discovery in Bioinformatics

Temitope A. Ogunnupebi
Gbolahan O. Oduselu
Oluwadunni F. Elebiju
Olayinka O. Ajani
Ezekiel Adebiyi

Frontiers in Bioinformatics

doi 10.3389/fbinf.2024.1428539

869 views

Editorial

Published on 09 Aug 2024

Editorial: Machine learning approaches to antimicrobials: discovery and resistance

in Drug Discovery in Bioinformatics

Shira L. Broschat
Shirley W. I. Siu
Cesar de la Fuente-Nunez

Frontiers in Bioinformatics

doi 10.3389/fbinf.2024.1458237

986 views

Original Research

Published on 08 Apr 2024

Prediction of polyspecificity from antibody sequence data by machine learning

in Drug Discovery in Bioinformatics

Szabolcs Éliás
Clemens Wrzodek
Charlotte M. Deane
Alain C. Tissot
Stefan Klostermann
Francesca Ros

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1286883

2,996 views
2 citations

Methods

Published on 08 Mar 2024

A network-based method for associating genes with autism spectrum disorder

in Drug Discovery in Bioinformatics

Neta Zadok
Gil Ast
Roded Sharan

Frontiers in Bioinformatics

doi 10.3389/fbinf.2024.1295600

1,197 views

Technology and Code

Published on 10 Jan 2024

BPAGS: a web application for bacteriocin prediction via feature evaluation using alternating decision tree, genetic algorithm, and linear support vector classifier

in Drug Discovery in Bioinformatics

Suraiya Akhter
John H. Miller

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1284705

2,607 views
3 citations

Original Research

Published on 09 Nov 2023

An algorithm for drug discovery based on deep learning with an example of developing a drug for the treatment of lung cancer

in Drug Discovery in Bioinformatics

Dmitrii K. Chebanov
Vsevolod A. Misyurin
Irina Zh. Shubina

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1225149

2,357 views
1 citation

Editorial

Published on 12 Sep 2023

Editorial: Recent advances in peptide informatics: challenges and opportunities

in Drug Discovery in Bioinformatics

Rahul Kumar
Kumardeep Chaudhary
Sandeep Kumar Dhanda

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1271932

1,113 views

Mini Review

Published on 13 Jul 2023

Geometric deep learning as a potential tool for antimicrobial peptide prediction

in Drug Discovery in Bioinformatics

Fabiano C. Fernandes
Marlon H. Cardoso
Abel Gil-Ley
Lívia V. Luchi
Maria G. L. da Silva
Maria L. R. Macedo
Cesar de la Fuente-Nunez
Octavio L. Franco

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1216362

5,315 views
15 citations

Original Research

Published on 07 Jun 2023

Human adenovirus DNA polymerase is evolutionarily and functionally associated with human telomerase reverse transcriptase based on in silico molecular characterization that implicate abacavir and zidovudine

in Drug Discovery in Bioinformatics

Toluwase Hezekiah Fatoki

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1123307

2,362 views
7 citations

Original Research

Published on 26 May 2023

Helix encoder: a compound-protein interaction prediction model specifically designed for class A GPCRs

in Drug Discovery in Bioinformatics

Haruki Yamane
Takashi Ishida

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1193025

1,782 views

Brief Research Report

Published on 23 May 2023

BrcaDx: precise identification of breast cancer from expression data using a minimal set of features

in Drug Discovery in Bioinformatics

Sangeetha Muthamilselvan
Ashok Palaniappan

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1103493

2,213 views
3 citations

Original Research

Published on 12 Apr 2023

Molecular modeling, simulation and docking of Rv1250 protein from Mycobacterium tuberculosis

in Drug Discovery in Bioinformatics

Sumita Choudhary
Anup Kumar Kesavan
Vijay Juneja
Sheetal Thakur

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1125479

5,192 views
10 citations

Opinion

Published on 23 Feb 2023

Perspective on the challenges and opportunities of accelerating drug discovery with artificial intelligence

in Drug Discovery in Bioinformatics

John P. Santa Maria
Yuan Wang
Luiz Miguel Camargo

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1121591

6,691 views
7 citations

Navigation group

Articles

Identification of novel drug targets for Helicobacter pylori: structure-based virtual screening of potential inhibitors against DAH7PS protein involved in the shikimate pathway

QSPRmodeler - An open source application for molecular predictive analytics

Molecular docking and molecular dynamic simulation studies to identify potential terpenes against Internalin A protein of Listeria monocytogenes

In silico studies of benzothiazole derivatives as potential inhibitors of Anopheles funestus and Anopheles gambiae trehalase

Editorial: Machine learning approaches to antimicrobials: discovery and resistance

Prediction of polyspecificity from antibody sequence data by machine learning

A network-based method for associating genes with autism spectrum disorder

BPAGS: a web application for bacteriocin prediction via feature evaluation using alternating decision tree, genetic algorithm, and linear support vector classifier

An algorithm for drug discovery based on deep learning with an example of developing a drug for the treatment of lung cancer

Editorial: Recent advances in peptide informatics: challenges and opportunities

Geometric deep learning as a potential tool for antimicrobial peptide prediction

Human adenovirus DNA polymerase is evolutionarily and functionally associated with human telomerase reverse transcriptase based on in silico molecular characterization that implicate abacavir and zidovudine

Helix encoder: a compound-protein interaction prediction model specifically designed for class A GPCRs

BrcaDx: precise identification of breast cancer from expression data using a minimal set of features

Molecular modeling, simulation and docking of Rv1250 protein from Mycobacterium tuberculosis

Perspective on the challenges and opportunities of accelerating drug discovery with artificial intelligence