Molecular Dynamic Simulations to Probe Stereoselectivity of Tiagabine Binding with Human GAT1

by Sadia Zafar, Ishrat Jabeen
Published 2020-10-01

Structure, Function, and Modulation of γ-Aminobutyric Acid Transporter 1 (GAT1) in Neurological Disorders: A Pharmacoinformatic Prospective

by Sadia Zafar, Ishrat Jabeen
Published 2018-09-01

GRID-independent molecular descriptor analysis and molecular docking studies to mimic the binding hypothesis of γ-aminobutyric acid transporter 1 (GAT1) inhibitors

by Sadia Zafar, Ishrat Jabeen
Published 2019-01-01

A 2D-QSAR and Grid-Independent Molecular Descriptor (GRIND) Analysis of Quinoline-Type Inhibitors of Akt2: Exploration of the Binding Mode in the Pleckstrin Homology (PH) Domain.

by Noreen Akhtar, Ishrat Jabeen
Published 2016-01-01

Exploring the Chemical Space of Cytochrome P450 Inhibitors using Integrated Physicochemical Parameters, Drug Efficiency Metrics and Decision Tree Models

by Yusra Sajid Kiani, Ishrat Jabeen
Published 2019-05-01

Biological Regulatory Network (BRN) Analysis and Molecular Docking Simulations to Probe the Modulation of IP₃R Mediated Ca²⁺ Signaling in Cancer

by Humaira Ismatullah, Ishrat Jabeen, Muhammad Tariq Saeed
Published 2021-12-01

Molecular Docking Guided Grid-Independent Descriptor Analysis to Probe the Impact of Water Molecules on Conformational Changes of hERG Inhibitors in Drug Trapping Phenomenon

by Saba Munawar, Jamie I. Vandenberg, Ishrat Jabeen
Published 2019-07-01

Pharmacophore modeling for identification of anti-IGF-1R drugs and in-vitro validation of fulvestrant as a potential inhibitor.

by Samra Khalid, Rumeza Hanif, Ishrat Jabeen, Qaisar Mansoor, Muhammad Ismail
Published 2018-01-01

Molecular Dynamics Simulation Framework to Probe the Binding Hypothesis of CYP3A4 Inhibitors

by Yusra Sajid Kiani, Kara E. Ranaghan, Ishrat Jabeen, Adrian J. Mulholland
Published 2019-09-01

Modeling and Simulation of hGAT1: A Mechanistic Investigation of the GABA Transport Process

by Sadia Zafar, Megin E. Nguyen, Ramaiah Muthyala, Ishrat Jabeen, Yuk Y. Sham
Published 2019-01-01

Performance of volunteer community health workers in implementing home-fortification interventions in Bangladesh: A qualitative investigation.

by Haribondhu Sarma, Ishrat Jabeen, Sharmin Khan Luies, Md Fakhar Uddin, Tahmeed Ahmed, Thomas J Bossert, Cathy Banwell
Published 2020-01-01

Experimentally Validated Pharmacoinformatics Approach to Predict hERG Inhibition Potential of New Chemical Entities

by Saba Munawar, Saba Munawar, Monique J. Windley, Edwin G. Tse, Matthew H. Todd, Adam P. Hill, Jamie I. Vandenberg, Ishrat Jabeen
Published 2018-09-01

Structure-Function Mutational Analysis and Prediction of the Potential Impact of High Risk Non-Synonymous Single-Nucleotide Polymorphism on Poliovirus 2A Protease Stability Using C...

by Amna Younus, Saba Munawar, Muhammad Faraz Bhatti, Aqsa Ikram, Faryal Mehwish Awan, Ishrat Jabeen, Nasar Virk, Hussnain Ahmed Janjua, Muhammad Arshad
Published 2018-04-01

Understanding key drivers and barriers to implementation of the WHO recommendations for the case management of childhood pneumonia and possible serious bacterial infection with amo...

by Mahfuzur Rahman, Jaclyn Delarosa, Sharmin Khan Luies, Kazi Robiul Alom, Manjari Quintanar-Solares, Ishrat Jabeen, Tahmeed Ahmed, Elizabeth Abu-Haydar, Haribondhu Sarma
Published 2020-02-01