Discover Community Create You

Loading publication...

Noodle always counts identifier-free feature events for service operation. With your permission, Google Analytics can also estimate audience and engagement. Search text, publication identifiers, cookies, IP addresses and browser fingerprints are never included in Noodle's first-party event counters.

Privacy details

Article

Computer-Aided Algorithmic Approaches to Drug Development for Multi-Mutant HIV-1 Reverse Transcriptase.

Clinical pharmacology in drug development - 1 Jan 2026

Zubair Akmal, Ali Muhammad, Hessien Mahmoud M

Abstract excerpt

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) inhibit the activity of the reverse transcriptase enzyme in HIV, representing a significant advancement in antiviral therapy. The emergence of antiviral-resistant strains of HIV-1 poses a substantial challenge in the treatment of HIV. This study presents an innovative virtual screening method that integrates a drug screening approach based on molecular...

Read the complete abstract on PubMed

Topics

Share this publication in a Topic to start or enrich a Post.

Share to Anti-HIV Agents
Share to Drug Development
Share to Drug Resistance, Viral

Methodology Data sources Editorial policy Privacy Delete account & data About Contact Helena Bioinformatics

Share to HIV Infections

Share to HIV Reverse Transcriptase

Share to Molecular Docking Simulation

Share to Molecular Dynamics Simulation

Share to Reverse Transcriptase Inhibitors

Source

Identifiers

PMID: 40864177
DOI: 10.1002/cpdd.1585

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 23 Oct 2026.

Related research

Semantic proximity does not establish scientific evidence. Graph snapshot: 2026-09-29.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Computer-Aided Algorithmic Approaches to Drug Development for Multi-Mutant HIV-1 Reverse Transcriptase.PMID 40864177Read ↗

Recent advances in the discovery of potent RNA-dependent RNA-polymerase (RdRp) inhibitors targeting virusesSemantic proximity Read ↗

Challenges and approaches in the discovery of human immunodeficiency virus type‐1 non‐nucleoside reverse transcriptase inhibitorsSemantic proximity Read ↗

Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitorsSemantic proximity Read ↗

Molecular Docking Studies of HIV-1 Resistance to Reverse Transcriptase Inhibitors: Mini-Review.Semantic proximity Read ↗

Insights into the interaction mechanism of first-generation HIV-1 protease inhibitors with wild-type and mutant (D30N and L76V) enzymes through in-silico based approach.Semantic proximity Read ↗

Virtual screening, identification, and biochemical characterization of novel inhibitors of the reverse transcriptase of human immunodeficiency virus type-1.Semantic proximity Read ↗

An in silico pharmacological approach toward the discovery of potent inhibitors to combat drug resistance HIV‐1 protease variantsSemantic proximity Read ↗

Structure-enhanced methods in the development of non-nucleoside inhibitors targeting HIV reverse transcriptase variants.Semantic proximity Read ↗

Bioactive fungal compounds as potential anti-HIV agents against HIV-1 protease: a multi-faceted molecular modelling approach for drug discovery.Semantic proximity Read ↗

Predicting Antiviral Resistance Mutations in SARS-CoV-2 Main Protease with Computational and Experimental Screening.Semantic proximity Read ↗

Drug Repurposing of Allophenylnorstatine Containing HIV-Protease Inhibitors Against SARS-CoV-2 Mpro: Insights from Molecular Dynamics Simulations and Binding Free Energy EstimationsSemantic proximity Read ↗

Drug repurposing for SARS-CoV-2: a high-throughput molecular docking, molecular dynamics, machine learning, and DFT studySemantic proximity Read ↗

⌁Select a neighboring publication to make it the new centre.