Simon Cocklin

Affiliations

Department of Biochemistry & Molecular Biology, Drexel University College of Medicine, Rooms 10307, 10309, and 10315, 245 North 15th Street, Philadelphia, PA 19102, USA. sc349@drexel.edu.

ORCID: 0000-0002-9074-741X

Publications (29)

Field-Based Affinity Optimization of a Novel Azabicyclohexane Scaffold HIV-1 Entry Inhibitor.

Molecules (Basel, Switzerland)

Avec: Megan E Meuser , Adel A Rashad , Gabriel Ozorowski , Alexej Dick , Andrew B Ward , Simon Cocklin

Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.

European journal of medicinal chemistry

Avec: Lin Sun , Tianguang Huang , Alexej Dick , Megan E Meuser , Waleed A Zalloum , Chin-Ho Chen , Xiao Ding , Ping Gao , Simon Cocklin , Kuo-Hsiung Lee , Peng Zhan , Xinyong Liu

Design, synthesis, and antiviral activity of phenylalanine derivatives as HIV-1 capsid inhibitors.

Bioorganic & medicinal chemistry

Avec: Jing Li , Xiangyi Jiang , Alexej Dick , Prem Prakash Sharma , Chin-Ho Chen , Brijesh Rathi , Dongwei Kang , Zhao Wang , Xiangkai Ji , Kuo-Hsiung Lee , Simon Cocklin , Xinyong Liu , Peng Zhan

Insights into next generation sequencing guided antibody selection strategies.

Scientific reports

Avec: M Frank Erasmus , Fortunato Ferrara , Sara D'Angelo , Laura Spector , Camila Leal-Lopes , André A Teixeira , Jesper Sørensen , Suhani Nagpal , Kathryn Perea-Schmittle , Alok Choudhary , William Honnen , David Calianese , Luis Antonio Rodriguez Carnero , Simon Cocklin , Victor Greiff , Abraham Pinter , Andrew R M Bradbury

Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.

Journal of medicinal chemistry

Avec: Lin Sun , Alexej Dick , Megan E Meuser , Tianguang Huang , Waleed A Zalloum , Chin-Ho Chen , Srinivasulu Cherukupalli , Shujing Xu , Xiao Ding , Ping Gao , Dongwei Kang , Erik De Clercq , Christophe Pannecouque , Simon Cocklin , Kuo-Hsiung Lee , Xinyong Liu , Peng Zhan

Design, Synthesis and Structure-Activity Relationships of Phenylalanine-Containing Peptidomimetics as Novel HIV-1 Capsid Binders Based on Ugi Four-Component Reaction.

Molecules (Basel, Switzerland)

Avec: Xiangkai Ji , Jing Li , Prem Prakash Sharma , Xiangyi Jiang , Brijesh Rathi , Zhen Gao , Lide Hu , Dongwei Kang , Erik De Clercq , Simon Cocklin , Chuanfeng Liu , Christophe Pannecouque , Alexej Dick , Xinyong Liu , Peng Zhan

The discovery and design of novel HIV-1 capsid modulators and future perspectives.

Expert opinion on drug discovery

Avec: Dang Ding , Shujing Xu , Xujie Zhang , Xiangyi Jiang , Simon Cocklin , Alexej Dick , Peng Zhan , Xinyong Liu

Discovery of novel brain permeable human ACSS2 inhibitors for blocking breast cancer brain metastatic growth.

bioRxiv : the preprint server for biology

Avec: Emily Esquea , Lorela Ciraku , Riley G Young , Jessica Merzy , Alexandra N Talarico , Adel Ahmed Rashad , Simon Cocklin , Nicole L Simone , Joris Beld , Mauricio J Reginato , Alexej Dick

Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.

European journal of medicinal chemistry

Avec: Xujie Zhang , Lin Sun , Megan E Meuser , Waleed A Zalloum , Shujing Xu , Tianguang Huang , Srinivasulu Cherukupalli , Xiangyi Jiang , Xiao Ding , Yucen Tao , Dongwei Kang , Erik De Clercq , Christophe Pannecouque , Alexej Dick , Simon Cocklin , Xinyong Liu , Peng Zhan

Structure, Function, and Interactions of the HIV-1 Capsid Protein.

Life (Basel, Switzerland)

Avec: Eric Rossi , Megan E Meuser , Camille J Cunanan , Simon Cocklin

Copper Modulates the Catalytic Activity of Protein Kinase CK2.

Frontiers in molecular biosciences

Avec: John E Chojnowski , Rongrong Li , Tiffany Tsang , Fatimah H Alfaran , Alexej Dick , Simon Cocklin , Donita C Brady , Todd I Strochlic

Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.

Journal of medicinal chemistry

Avec: Shujing Xu , Lin Sun , Michael Barnett , Xujie Zhang , Dang Ding , Anushka Gattu , Dazhou Shi , Jamie R H Taka , Wenli Shen , Xiangyi Jiang , Simon Cocklin , Erik De Clercq , Christophe Pannecouque , David C Goldstone , Xinyong Liu , Alexej Dick , Peng Zhan

Selective and brain-penetrant ACSS2 inhibitors target breast cancer brain metastatic cells.

Frontiers in pharmacology

Avec: Emily M Esquea , Lorela Ciraku , Riley G Young , Jessica Merzy , Alexandra N Talarico , Nusaiba N Ahmed , Mangalam Karuppiah , Anna Ramesh , Adam Chatoff , Claudia V Crispim , Adel A Rashad , Simon Cocklin , Nathaniel W Snyder , Joris Beld , Nicole L Simone , Mauricio J Reginato , Alexej Dick

Inhibitors of SARS-CoV-2 Entry: Current and Future Opportunities.

Journal of medicinal chemistry

Avec: Siyu Xiu , Alexej Dick , Han Ju , Sako Mirzaie , Fatemeh Abdi , Simon Cocklin , Peng Zhan , Xinyong Liu

Recent Advances in HIV-1 Gag Inhibitor Design and Development.

Molecules (Basel, Switzerland)

Avec: Alexej Dick , Simon Cocklin

Discovery of novel 1,4-disubstituted 1,2,3-triazole phenylalanine derivatives as HIV-1 capsid inhibitors.

RSC advances

Avec: Xiangyi Jiang , Gaochan Wu , Waleed A Zalloum , Megan E Meuser , Alexej Dick , Lin Sun , Chin-Ho Chen , Dongwei Kang , Lanlan Jing , Ruifang Jia , Simon Cocklin , Kuo-Hsiung Lee , Xinyong Liu , Peng Zhan

Atomic-scale interface engineering of Majorana edge modes in a 2D magnet-superconductor hybrid system.

Science advances

Avec: Alexandra Palacio-Morales , Eric Mascot , Sagen Cocklin , Howon Kim , Stephan Rachel , Dirk K Morr , Roland Wiesendanger

Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.

European journal of medicinal chemistry

Avec: Shujing Xu , Lin Sun , Alexej Dick , Waleed A Zalloum , Tianguang Huang , Megan E Meuser , Xujie Zhang , Yucen Tao , Srinivasulu Cherukupalli , Dang Ding , Xiao Ding , Shenghua Gao , Xiangyi Jiang , Dongwei Kang , Erik De Clercq , Christophe Pannecouque , Simon Cocklin , Xinyong Liu , Peng Zhan

Clade-Specific Alterations within the HIV-1 Capsid Protein with Implications for Nuclear Translocation.

Biomolecules

Avec: Alexej Dick , Megan E Meuser , Simon Cocklin

Discovery and Mechanistic Investigation of Piperazinone Phenylalanine Derivatives with Terminal Indole or Benzene Ring as Novel HIV-1 Capsid Modulators.

Molecules (Basel, Switzerland)

Avec: Shujing Xu , Lin Sun , Waleed A Zalloum , Tianguang Huang , Xujie Zhang , Dang Ding , Xiaoyu Shao , Xiangyi Jiang , Fabao Zhao , Simon Cocklin , Erik De Clercq , Christophe Pannecouque , Alexej Dick , Xinyong Liu , Peng Zhan

Design, synthesis, and mechanistic study of 2-piperazineone-bearing peptidomimetics as novel HIV capsid modulators.

RSC medicinal chemistry

Avec: Xujie Zhang , Lin Sun , Shujing Xu , Tianguang Huang , Fabao Zhao , Dang Ding , Chuanfeng Liu , Xiangyi Jiang , Yucen Tao , Dongwei Kang , Erik De Clercq , Christophe Pannecouque , Simon Cocklin , Alexej Dick , Xinyong Liu , Peng Zhan

Composition and Orientation of the Core Region of Novel HIV-1 Entry Inhibitors Influences Metabolic Stability.

Molecules (Basel, Switzerland)

Avec: Rama Karadsheh , Megan E Meuser , Simon Cocklin

Bioisosteric Replacement as a Tool in Anti-HIV Drug Design.

Pharmaceuticals (Basel, Switzerland)

Avec: Alexej Dick , Simon Cocklin

Rapid Optimization of the Metabolic Stability of a Human Immunodeficiency Virus Type-1 Capsid Inhibitor Using a Multistep Computational Workflow.

Journal of medicinal chemistry

Avec: Megan E Meuser , Poli Adi Narayana Reddy , Alexej Dick , Jean Marc Maurancy , Joseph M Salvino , Simon Cocklin

New RAD51 Inhibitors to Target Homologous Recombination in Human Cells.

Genes

Avec: Irina S Shkundina , Alexander A Gall , Alexej Dick , Simon Cocklin , Alexander V Mazin

Subtype Differences in the Interaction of HIV-1 Matrix with Calmodulin: Implications for Biological Functions.

Biomolecules

Avec: Alexej Dick , Simon Cocklin

Alprazolam Prompts HIV-1 Transcriptional Reactivation and Enhances CTL Response Through RUNX1 Inhibition and STAT5 Activation.

Frontiers in neurology

Avec: Angel Lin , Weam Othman Elbezanti , Alexis Schirling , Adel Ahmed , Rachel Van Duyne , Simon Cocklin , Zachary Klase

Discovery of novel 1,2,4-triazole phenylalanine derivatives targeting an unexplored region within the interprotomer pocket of the HIV capsid protein.

Journal of medical virology

Avec: Xiangyi Jiang , Prem Prakash Sharma , Brijesh Rathi , Xiangkai Ji , Lide Hu , Zhen Gao , Dongwei Kang , Zhao Wang , Minghui Xie , Shujing Xu , Xujie Zhang , Erik De Clercq , Simon Cocklin , Christophe Pannecouque , Alexej Dick , Xinyong Liu , Peng Zhan

Design, Synthesis, and Mechanistic Study of 2-Pyridone-Bearing Phenylalanine Derivatives as Novel HIV Capsid Modulators.

Molecules (Basel, Switzerland)

Avec: Xujie Zhang , Lin Sun , Shujing Xu , Xiaoyu Shao , Ziyi Li , Dang Ding , Xiangyi Jiang , Shujie Zhao , Simon Cocklin , Erik De Clercq , Christophe Pannecouque , Alexej Dick , Xinyong Liu , Peng Zhan

Réseau de co-auteurs

Alexej Dick 24 collaborations

Peng Zhan 14 collaborations

Xinyong Liu 14 collaborations

Xiangyi Jiang 11 collaborations

Megan E Meuser 10 collaborations

Lin Sun 9 collaborations

Shujing Xu 9 collaborations

Erik De Clercq 9 collaborations

Christophe Pannecouque 9 collaborations

Dongwei Kang 8 collaborations

Xujie Zhang 8 collaborations

Tianguang Huang 6 collaborations

Waleed A Zalloum 6 collaborations

Dang Ding 6 collaborations

Chin-Ho Chen 4 collaborations

Xiao Ding 4 collaborations

Kuo-Hsiung Lee 4 collaborations

Prem Prakash Sharma 3 collaborations

Brijesh Rathi 3 collaborations

Xiangkai Ji 3 collaborations

Srinivasulu Cherukupalli 3 collaborations

Yucen Tao 3 collaborations

Adel A Rashad 2 collaborations

Ping Gao 2 collaborations

Jing Li 2 collaborations

Zhao Wang 2 collaborations

Zhen Gao 2 collaborations

Lide Hu 2 collaborations

Chuanfeng Liu 2 collaborations

Lorela Ciraku 2 collaborations

Riley G Young 2 collaborations

Jessica Merzy 2 collaborations

Alexandra N Talarico 2 collaborations

Nicole L Simone 2 collaborations

Joris Beld 2 collaborations

Mauricio J Reginato 2 collaborations

Xiaoyu Shao 2 collaborations

Fabao Zhao 2 collaborations

Gabriel Ozorowski 1 collaboration

Andrew B Ward 1 collaboration

M Frank Erasmus 1 collaboration

Fortunato Ferrara 1 collaboration

Sara D'Angelo 1 collaboration

Laura Spector 1 collaboration

Camila Leal-Lopes 1 collaboration

André A Teixeira 1 collaboration

Jesper Sørensen 1 collaboration

Suhani Nagpal 1 collaboration

Kathryn Perea-Schmittle 1 collaboration

Alok Choudhary 1 collaboration

William Honnen 1 collaboration

David Calianese 1 collaboration

Luis Antonio Rodriguez Carnero 1 collaboration

Victor Greiff 1 collaboration

Abraham Pinter 1 collaboration

Andrew R M Bradbury 1 collaboration

Emily Esquea 1 collaboration

Adel Ahmed Rashad 1 collaboration

Eric Rossi 1 collaboration

Camille J Cunanan 1 collaboration

John E Chojnowski 1 collaboration

Rongrong Li 1 collaboration

Tiffany Tsang 1 collaboration

Fatimah H Alfaran 1 collaboration

Donita C Brady 1 collaboration

Todd I Strochlic 1 collaboration

Michael Barnett 1 collaboration

Anushka Gattu 1 collaboration

Dazhou Shi 1 collaboration

Jamie R H Taka 1 collaboration

Wenli Shen 1 collaboration

David C Goldstone 1 collaboration

Emily M Esquea 1 collaboration

Nusaiba N Ahmed 1 collaboration

Mangalam Karuppiah 1 collaboration

Anna Ramesh 1 collaboration

Adam Chatoff 1 collaboration

Claudia V Crispim 1 collaboration

Nathaniel W Snyder 1 collaboration

Siyu Xiu 1 collaboration

Han Ju 1 collaboration

Sako Mirzaie 1 collaboration

Fatemeh Abdi 1 collaboration

Gaochan Wu 1 collaboration

Lanlan Jing 1 collaboration

Ruifang Jia 1 collaboration

Alexandra Palacio-Morales 1 collaboration

Eric Mascot 1 collaboration

Sagen Cocklin 1 collaboration

Howon Kim 1 collaboration

Stephan Rachel 1 collaboration

Dirk K Morr 1 collaboration

Roland Wiesendanger 1 collaboration

Shenghua Gao 1 collaboration

Rama Karadsheh 1 collaboration

Poli Adi Narayana Reddy 1 collaboration

Jean Marc Maurancy 1 collaboration

Joseph M Salvino 1 collaboration

Irina S Shkundina 1 collaboration

Alexander A Gall 1 collaboration

Alexander V Mazin 1 collaboration

Angel Lin 1 collaboration

Weam Othman Elbezanti 1 collaboration

Alexis Schirling 1 collaboration

Adel Ahmed 1 collaboration

Rachel Van Duyne 1 collaboration

Zachary Klase 1 collaboration

Minghui Xie 1 collaboration

Ziyi Li 1 collaboration

Shujie Zhao 1 collaboration