In Silico Drug Discovery and Drug-Designing in Combatting Antibiotic Resistance

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ORIGINAL RESEARCH

Published on 10 Jun 2026

A dual functional inhibitory molecule to combat GyrA-ParC and associated mutants in fluoroquinolone-resistant Shigella flexneri causing shigellosis: an ML guided and quantum simulation-based in silico approach

Soumyadip Ghosh
Sudha Ramaiah

doi 10.3389/fbinf.2026.1765216

927 views

ORIGINAL RESEARCH

Published on 26 May 2026

A 4-methyl-substituted durlobactam analogue as a potential class-D oxacillinase inhibitor in Acinetobacter baumannii—an in silico study

Elizabeth Annie George
Aniket Naha
Sudha Ramaiah

doi 10.3389/fbinf.2026.1790411

883 views

ORIGINAL RESEARCH

Published on 28 Apr 2026

Repurposing the angiotensin II receptor blocker valsartan to inhibit penicillin-binding protein 3 and its mutants in Haemophilus influenzae: a comprehensive in silico approach

Srujal Kacha
Janani Arun
Neelu Nargund
Tushar Joshi
Shalini Mathpal
Sudha Ramaiah
Anand Anbarasu

doi 10.3389/fbinf.2026.1765472

2,696 views

ORIGINAL RESEARCH

Published on 18 Mar 2026

Designing and immuno-informatics evaluation of a multi-epitope vaccine targeting lipoprotein A-4′-phosphatase (LpxF) for Helicobacter pylori infection control

Pavan Gollapalli
Tamizh Selvan Gnanasekaran

doi 10.3389/fbinf.2026.1779654

1,328 views

REVIEW

Published on 17 Mar 2026

Recent advances in computational antimicrobial peptide discovery through big data, modeling, and artificial intelligence and their interplay in ushering the next golden era of drug development

Tope Abraham Abraham Ibisanmi
Xiaotao Jiang
Mark Willcox
Naresh Kumar

doi 10.3389/fbinf.2026.1749404

3,811 views
4 citations

REVIEW

Accepted on 05 Jun 2026

In Silico Drug Discovery Pipelines Targeting Antibiotic Resistance: From Genomes to Leads

Rohan Gupta
Pallavi Singh
Karthikeyan Ravi
Mosleh Abomughaid
Sorabh Lakhanpal
Ravi Sharma
NAVEEN KUMAR
Niraj Jha

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Frontiers in Bioinformatics

Drug Discovery in Bioinformatics

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Articles

A dual functional inhibitory molecule to combat GyrA-ParC and associated mutants in fluoroquinolone-resistant Shigella flexneri causing shigellosis: an ML guided and quantum simulation-based in silico approach

A 4-methyl-substituted durlobactam analogue as a potential class-D oxacillinase inhibitor in Acinetobacter baumannii—an in silico study

Repurposing the angiotensin II receptor blocker valsartan to inhibit penicillin-binding protein 3 and its mutants in Haemophilus influenzae: a comprehensive in silico approach

Designing and immuno-informatics evaluation of a multi-epitope vaccine targeting lipoprotein A-4′-phosphatase (LpxF) for Helicobacter pylori infection control

Recent advances in computational antimicrobial peptide discovery through big data, modeling, and artificial intelligence and their interplay in ushering the next golden era of drug development

In Silico Drug Discovery Pipelines Targeting Antibiotic Resistance: From Genomes to Leads

Frontiers in Bioinformatics

Drug Discovery in Bioinformatics