Mutual Support of Ligand- and Structure-Based Approaches—To What Extent We Can Optimize the Power of Predictive Model? Case Study of Opioid Receptors

by Sabina Podlewska, Rafał Kurczab
Published 2021-03-01

In Vitro and In Vivo Efficacy of a Novel Glucose–Methotrexate Conjugate in Targeted Cancer Treatment

by Marta Woźniak, Gabriela Pastuch-Gawołek, Sebastian Makuch, Jerzy Wiśniewski, Tibor Krenács, Peter Hamar, Andrzej Gamian, Wiesław Szeja, Danuta Szkudlarek, Monika Krawczyk, Siddarth Agrawal
Published 2021-02-01

Targeting the Sphingosine Kinase/Sphingosine-1-Phosphate Signaling Axis in Drug Discovery for Cancer Therapy

by Preeti Gupta, Aaliya Taiyab, Afzal Hussain, Mohamed F. Alajmi, Asimul Islam, Md. Imtaiyaz Hassan
Published 2021-04-01

A Proline-Based Tectons and Supramolecular Synthons for Drug Design 2.0: A Case Study of ACEI

by Joanna Bojarska, Milan Remko, Martin Breza, Izabela Madura, Andrzej Fruziński, Wojciech M. Wolf
Published 2020-10-01

The Effect of a New Glucose–Methotrexate Conjugate on Acute Lymphoblastic Leukemia and Non-Hodgkin’s Lymphoma Cell Lines

by Marta Woźniak, Sebastian Makuch, Gabriela Pastuch-Gawołek, Jerzy Wiśniewski, Wiesław Szeja, Martyna Nowak, Monika Krawczyk, Siddarth Agrawal
Published 2021-04-01

Ligand-associated conformational changes of a flexible enzyme captured by harnessing the power of allostery

by Dean, Sondra Faye
Published 2016

A role for fragment-based drug design in developing novel lead compounds for central nervous system targets

by Michael J. Wasko, Kendy A. Pellegrene, Jeffry D. Madura, Christopher K. Surratt
Published 2015-09-01

Discovery of Hordenine as a Potential Inhibitor of Pyruvate Dehydrogenase Kinase 3: Implication in Lung Cancer Therapy

by Saleha Anwar, Taj Mohammad, Anas Shamsi, Aarfa Queen, Shahnaz Parveen, Suaib Luqman, Gulam Mustafa Hasan, Khalid A. Alamry, Naved Azum, Abdullah M. Asiri, Md. Imtaiyaz Hassan
Published 2020-05-01

MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer’s Disease Therapy

by Anas Shamsi, Saleha Anwar, Taj Mohammad, Mohamed F. Alajmi, Afzal Hussain, Md. Tabish Rehman, Gulam Mustafa Hasan, Asimul Islam, Md. Imtaiyaz Hassan
Published 2020-05-01

Ellagic Acid Controls Cell Proliferation and Induces Apoptosis in Breast Cancer Cells via Inhibition of Cyclin-Dependent Kinase 6

by Mohd Yousuf, Anas Shamsi, Parvez Khan, Mohd Shahbaaz, Mohamed F. AlAjmi, Afzal Hussain, Gulam Mustafa Hassan, Asimul Islam, Qazi Mohd Rizwanul Haque, Md. Imtaiyaz Hassan
Published 2020-05-01

Identification and Evaluation of Inhibitors of Lipase from <i>Malassezia restricta</i> using Virtual High-Throughput Screening and Molecular Dynamics Studies

by Shahid Ali, Faez Iqbal Khan, Taj Mohammad, Dongming Lan, Md. Imtaiyaz Hassan, Yonghua Wang
Published 2019-02-01

An effective layered workflow of virtual screening for identification of active ligands of challenging protein targets

by Folly da Silva Constantino, Laura
Published 2017

Drug Discovery and Repurposing Inhibits a Major Gut Pathogen-Derived Oncogenic Toxin

by Paul Metz, Paul Metz, Paul Metz, Martijn J. H. Tjan, Martijn J. H. Tjan, Shaoguang Wu, Mehrosh Pervaiz, Susanne Hermans, Aishwarya Shettigar, Cynthia L. Sears, Tina Ritschel, Bas E. Dutilh, Bas E. Dutilh, Annemarie Boleij
Published 2019-10-01