Ishrat Jabeen
HoD Research
- School of Interdisciplinary Engineering & Sciences
- 051908557
Summary
Academic Background
PhD
(Pharmacoinformatics) Universität Vienna
April 14, 2008 - March 27, 2012
Honours and Awards
Publications
Probing the binding hypothesis of Smad3 modulators by molecular dynamic simulations for Atherosclerosis Cardiovascular Disease (ASCVD)
June 24, 2026
PLoS One - Accepted
Feedback-controlled regulation of middle ear fluid and pressure using fixed-time sliding mode control
May 16, 2026
International Journal of Dynamics and Control - Volume:14, Issue:6, Article Number 191
Dysregulated expression of cell cycle regulators CDC20, PLK1, BUB1, CDC45, CDCA5 in pancreatic ductal adenocarcinoma
March 19, 2026
Scientific Reports - Volume: 16, Article Number: 9409, Pages: 19
Metagenomic analyses reveal E. coli-derived siderophores as potential signatures for breast cancer
January 19, 2026
Journal of Translational Medicine - Volume:24, Article Number:84, Pages:15
Integrating biological regulatory network analysis and structural bioinformatics to probe CABP4 transcriptional regulation in night blindness
September 21, 2025
Journal of Biomolecular Structure and Dynamics - Pages 1-21
Probing the rate of Ca2+-dependent neuroblastoma growth and drugs’ response using dynamic mathematical models
July 15, 2025
International Journal of Biomathematics - Pages 1-27
DFT and Molecular Docking Study of HA-Conjugated SWCNTs for CD44-Targeted Delivery of Platinum-Based Chemotherapeutics
May 27, 2025
Pharmaceuticals - Volume 18(6), Article Number 805
Molecular modelling and gene expression analysis to probe the GT-γ trihelix transcription factors in Solanum tuberosum under drought stress
April 11, 2025
Scientific Reports - Volume 15, Article Number: 12471
Prodomain processing controls BMP-10 bioactivity and targeting to fibrillin-1 in latent conformation
February 15, 2025
FASEB Journal - Volume 39, Issue 3, Article Number e70373
Cocrystallization of 5-FU and novel sulfathiazole Schiff bases: Synthesis, theoretical and experimental anticancer evaluation against MCF-7 and SW-480 cancer cell lines
February 15, 2025
Journal of Molecular Liquids - Volume 420, Article Number 126850
Dynamics simulations of hypoxia inducible factor-1 regulatory network in cancer using formal verification techniques
November 07, 2024
Frontiers in Molecular Biosciences - Volume 11, Article Number 1386930
Molecular Modeling Studies to Mimic the Binding Hypothesis of NEU3 Sialidase and EGFR in Nonsmall Cell Lung Carcinoma
September 05, 2024
Journal of Computational Biophysics and Chemistry - Vol: 23, No: 09, Pages: 1233-1252
Challenges of Protein-Protein Docking of the Membrane Proteins
July 11, 2024
Book on Protein-Protein Docking: Methods in Molecular Biology - Chapter 12, Volume:2780, Page:203-255
Biological regulatory network analysis for targeting the mitochondrial calcium uniporter (MCU) mediated calcium (Ca 2+ ) transport in neurodegenerative disorders
July 01, 2024
Cell Biochemistry and Function - Volume: 42, Issue:05, Article Number: e4082
Molecular Modeling Studies to Probe the Binding Hypothesis of Novel Lead Compounds against Multidrug Resistance Protein ABCB1
January 16, 2024
Biomolecules - Volume 14(1), Article Number 114
Synthesis, Characterization, Theoretical and Experimental Anticancer Evaluation of Novel Cocrystals of 5-Fluorouracil and Schiff Bases against SW480 Colorectal Carcinoma
July 11, 2023
Pharmaceutics - Volume 15(7), Article Number 1929
Smart Wireless Sensor Technology for Healthcare Monitoring System Using Cognitive Radio Networks
July 02, 2023
Sensors - Volume 23(13), Article Number 6104
An Intelligent Healthcare System Using IoT in Wireless Sensor Network
May 25, 2023
Sensors - Volume: 23, Issue: 11, Article Number:5055
Structural and functional insight into a new emerging target IP3R in cancer
April 17, 2023
Journal of Biomolecular Structure and Dynamics - Pages 1-27
Identification and Empiric Evaluation of New Inhibitors of the Multidrug Transporter P-Glycoprotein (ABCB1)
March 10, 2023
International Journal of Molecular Sciences - Volume 24, Issue 6, Article Number
Anticancer potential of novel 5-Fluorouracil co-crystals against MCF7 breast and SW480 colon cancer cell lines along with docking studies
December 01, 2022
Arabian Journal of Chemistry - Volume 15, Issue 12, Article Number 104299
Decoding the Role of Epigenetics in Breast Cancer Using Formal Modeling and Machine-Learning Methods
July 11, 2022
Frontiers in Molecular Biosciences - Volume 9, Article Number 882738
Combined Machine Learning and GRID-Independent Molecular Descriptor (GRIND) Models to Probe the Activity Profiles of 5-Lipoxygenase Activating Protein Inhibitors
March 01, 2022
Frontiers in Pharmacology - Volume 13, Article Number 825741
A Monte Carlo Based COVID-19 Detection Framework for Smart Healthcare
February 01, 2022
CMC-Computers, Materials & Continua - Volume 70, No.2, Pages 2365-2380
Combined Pharmacophore and Grid-Independent Molecular Descriptors (GRIND) Analysis to Probe 3D Features of Inositol 1,4,5-Trisphosphate Receptor (IP3R) Inhibitors in Cancer
November 30, 2021
International Journal of Molecular Sciences - Volume 22(23), Article Number 12993
Molecular docking and pharmacophore models to probe binding hypothesis of inhibitors of hypoxia inducible factor-1
April 24, 2021
Journal of Biomolecular Structure and Dynamics - Pages 1-12
Biological Regulatory Network (BRN) Analysis and Molecular Docking Simulations to Probe the Modulation of IP3R Mediated Ca2+ Signaling in Cancer
December 29, 2020
Genes - Volume 12(1), Article Number 34
Molecular Dynamic Simulations to Probe Stereoselectivity of Tiagabine Binding with Human GAT1
October 16, 2020
Molecules - Volume 25(20), Article Number 4745
Lipophilic Metabolic Efficiency (LipMetE) and Drug Efficiency Indices to Explore the Metabolic Properties of the Substrates of Selected Cytochrome P450 Isoforms
January 01, 2020
ACS Omega - Volume 5(1), Pages 179-188
Molecular Dynamics Simulation Framework to Probe the Binding Hypothesis of CYP3A4 Inhibitors
September 10, 2019
International Journal of Molecular Sciences - Volume 20, Issue 18, Article Number 4468
Molecular Docking Guided Grid-Independent Descriptor Analysis to Probe the Impact of Water Molecules on Conformational Changes of hERG Inhibitors in Drug Trapping Phenomenon
September 01, 2019
International Journal of Molecular Sciences - Volume: 20, Issue: 14, Article Number: 3385
Exploring the Chemical Space of Cytochrome P450 Inhibitors Using Integrated Physicochemical Parameters, Drug Efficiency Metrics and Decision Tree Models
May 24, 2019
COMPUTATION - Volume 7, Issue 2
Structure-Based Pharmacophore Models to Probe Anticancer Activity of Inhibitors of Protein Kinase B-beta (PKB ß)
March 01, 2019
Chemical Biology & Drug Design - Volume 93(3), Pages 325-336
GRID-independent molecular descriptor analysis and molecular docking studies to mimic the binding hypothesis of γ-aminobutyric acid transporter 1 (GAT1) inhibitors
January 31, 2019
PeerJ - Volume 7, Article no e6283
Modeling and Simulation of hGAT1: A Mechanistic Investigation of the GABA Transport Process
January 01, 2019
Computational and Structural Biotechnology Journal - Volume 17, Pages 61-69
Experimentally Validated Pharmacoinformatics Approach to Predict hERG Inhibition Potential of New Chemical Entities
September 19, 2018
Frontiers in Pharmacology - Volume 9, Article Number 1035
Structure, Function, and Modulation of γ-Aminobutyric Acid Transporter 1 (GAT1) in Neurological Disorders: A Pharmacoinformatic Prospective
September 11, 2018
Frontiers in Chemistry - Volume 6, Article Number 397
Pharmacoinformatic Approaches to Design Novel Inhibitors of Protein Kinase B Pathways in Cancer
June 01, 2018
Current Cancer Drug Targets - NULL
Pharmacophore modeling for identification of anti-IGF-1R drugs and in-vitro validation of fulvestrant as a potential inhibitor
May 22, 2018
PlosOne - NULL
Structure-Function Mutational Analysis and Prediction of the Potential Impact of High Risk Non-Synonymous Single-Nucleotide Polymorphism on Poliovirus 2A Protease Stability Using Comprehensive Informatics Approaches
April 26, 2018
Genes - Volume 9(5), Article Number 228
Molecular docking simulations and GRID-independent molecular descriptor (GRIND) analysis to probe stereoselective interactions of CYP3A4 inhibitors
October 01, 2017
Medicinal Chemistry Research - Volume: 26 Issue: 10 Pages: 2322-2335
Grid-independent Descriptors (GRIND) Analysis and SAR Guided Molecular Docking Studies to Probe Selectivity Profiles of Inhibitors of Multidrug Resistance Transporters ABCB1 and ABCG2,
February 06, 2017
Current Cancer Drug Targets - Volume 17, Number 2, Pages 177-190
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
December 30, 2016
PLoS ONE - Volume: 11 Issue: 12
In silico Strategies to Probe Stereoselective Interactions of Multidrug Resistant Transporter P-glycoprotein
August 07, 2015
Letters in Drug Design & Discovery, ISSN:1570-1808, Vol.13, No.8, Pages 824-832, October 2016 - Volume 13, Issue 8, Pages 824-832
Synthesis, Biological Activity and Quantitative Structure-Activity Relationship Studies of a Series of Benzopyranes and Benzopyrano[3,4-b][1,4]oxazines as Inhibitors of the Multidrug Transporter P-glycoprotein,
April 01, 2014
Bioorganic & Medicinal Chemistry - Volume 22, Issue 7, Pages 2311-2319
2D- and 3D-QSAR studies of a series of benzopyranes and benzopyrano[3,4b][1,4]-oxazines as inhibitors of the multidrug transporter P-glycoprotein
February 12, 2013
Journal of Computer-Aided Molecular Design - Volume 27, Issue 2, Pages 161-171
Structure−Activity Relationships, Ligand Efficiency, and Lipophilic Efficiency Profiles of Benzophenone-Type Inhibitors of the Multidrug Transporter P-Glycoprotein
April 12, 2012
Journal Of Medicinal Chemistry - Volume 55, Issue 7, Pages 3261-3273
Probing the stereoselectivity of P-glycoprotein—synthesis, biological activity and ligand docking studies of a set of enantiopure benzopyrano[3,4-b][1,4]oxazines
March 01, 2011
Chemical Communications - Volume 7, Issue 9
Pharmacoinformatic approaches to design natural product type ligands of ABC-transporters
May 01, 2010
Current Pharmaceutical Design - Volume: 16 Issue: 15 Pages: 1742-1752
Conferences
(Keynote Speaker) Artificial Intelligence in healthcare: potential and pitfalls in Pakistan
January 20, 2024 - January 28, 2024
iSHRAT JABEEN,
ICCON 2024: Game Changing Solutions in Health Care
Associate Professor
RCMS NUST
December 28, 2017 - March 02, 2022
Assistant Professor
RCMS, NUST
May 07, 2013 - December 28, 2017
Assistant Professor
RCMS, NUST
May 07, 2012 - May 07, 2013