Scaffold Hopping | List of Frontiers open access articles

Original Research

Published on 28 Apr 2025

Rational design of allosteric inhibitors targeting C797S mutant EGFR in NSCLC: an integrative in silico and in-vitro study

in Cancer Molecular Targets and Therapeutics

Jian Wang
Feiyang Yuan
Mahadevi Kendre
Zhijin He
Shaowei Dong
Abhinandan Patil
Kausing Padvi

Frontiers in Oncology

doi 10.3389/fonc.2025.1590779

3,215 views
1 citation

Original Research

Published on 14 Aug 2025

Exploring murE protein inhibitors of Tropheryma whipplei through pharmacoinformatic approaches incorporating solubility-enhancing formulation insights

in Experimental Pharmacology and Drug Discovery

Zarrin Basharat
Calvin R. Wei
Madiha Islam
Ibrar Ahmed
Hanan A. Ogaly
Fatimah A. M. Al-Zahrani
Yasir Waheed
Seil Kim

Frontiers in Pharmacology

doi 10.3389/fphar.2025.1630038

2,124 views

Original Research

Published on 23 Oct 2024

De novo design of mIDH1 inhibitors by integrating deep learning and molecular modeling

in Experimental Pharmacology and Drug Discovery

Dingkang Sun
Lulu Xu
Mengfan Tong
Zhao Wei
Weitong Zhang
Jialong Liang
Xueying Liu
Yuwei Wang

Frontiers in Pharmacology

doi 10.3389/fphar.2024.1491699

2,344 views
3 citations

Original Research

Published on 07 Feb 2022

The Styryl Benzoic Acid Derivative DC10 Potentiates Radiotherapy by Targeting the xCT-Glutathione Axis

in Cancer Molecular Targets and Therapeutics

Shahin Sarowar
Davide Cirillo
Pablo Játiva
Mette Hartmark Nilsen
Sarah-Muheha Anni Otragane
Jan Heggdal
Frode Selheim
Valentín Ceña
Hans-René Bjørsvik
Per Øyvind Enger

Frontiers in Oncology

doi 10.3389/fonc.2022.786739

4,948 views
4 citations

Original Research

Published on 19 Nov 2021

Early Drug Discovery and Development of Novel Cancer Therapeutics Targeting DNA Polymerase Eta (POLH)

in Cancer Molecular Targets and Therapeutics

David M. Wilson
Matthew A. J. Duncton
Caleb Chang
Christie Lee Luo
Taxiarchis M. Georgiadis
Patricia Pellicena
Ashley M. Deacon
Yang Gao
Debanu Das

Frontiers in Oncology

doi 10.3389/fonc.2021.778925

8,959 views
16 citations

Original Research

Published on 02 Jun 2022

Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase

in Clinical and Diagnostic Microbiology and Immunology

Patrick O. Sakyi
Emmanuel Broni
Richard K. Amewu
Whelton A. Miller
Michael D. Wilson
Samuel Kojo Kwofie

Frontiers in Cellular and Infection Microbiology

doi 10.3389/fcimb.2022.859981

10,334 views
17 citations

Articles

Rational design of allosteric inhibitors targeting C797S mutant EGFR in NSCLC: an integrative in silico and in-vitro study

Exploring murE protein inhibitors of Tropheryma whipplei through pharmacoinformatic approaches incorporating solubility-enhancing formulation insights

De novo design of mIDH1 inhibitors by integrating deep learning and molecular modeling

The Styryl Benzoic Acid Derivative DC10 Potentiates Radiotherapy by Targeting the xCT-Glutathione Axis

Early Drug Discovery and Development of Novel Cancer Therapeutics Targeting DNA Polymerase Eta (POLH)

Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase