About

Dr. ISHRAT JABEEN is working as Professor in the School of Interdisciplinary Engineering & Sciences . Dr. ISHRAT JABEEN has a PhD in Pharmacoinformatics . Dr. ISHRAT JABEEN has published 45 research articles & conference papers having a citation count of 559 , carried out 6 projects and filed 0 intellectual property.

Research Tags

Biological Data Bases Drug Design and development ML in Biolocal Sciences Molecular Dynamics Simulations Proteochemometeric Modelling Biomolecular Structural Modeling Docking Simulations Local Healthcare data analytics Personalized Medicine Structure Bioinformatics

Research Projects

5

Industry Projects

1

Amount Granted

7.9 M

Publications

45

Citations

559

Intellectual Property

0
Publication Types
Project Types
Publications by Year
Projects by Year

Education

PhD Pharmacoinformatics 2008- 2012
Universität Vienna , Austria
MPhil Medicinal Chemistry 2005- 2007
University of Agriculture Faisalabad , Pakistan
MSc Medicinal Chemistry 2003- 2005
University of Agriculture Faisalabad , Pakistan

Experience

Professor 2022- Present
School of Interdisciplinary Engineering & Sciences , NUST
Associate Professor 2022- 2022
School of Interdisciplinary Engineering & Sciences , NUST
Associate Professor 2017- 2022
Research Centre for Modelling & Simulation , NUST
Assistant Professor 2013- 2017
Research Centre for Modelling & Simulation , NUST
Assistant Professor 2012- 2013
Research Centre for Modelling & Simulation , NUST
Associate Professor 2017- 2022
RCMS NUST , NUST H12 ,
Assistant Professor 2013- 2017
RCMS, NUST , NUST, H12 ,
Assistant Professor 2012- 2013
RCMS, NUST , National University of Sciences and Technology (NUST) ,

Awards

Memberships

5
Research Projects
1
Industrial Projects
6
National Projects
0
International Projects
7.9M
Total Funding (PKR)
In Data development of Breast Cancer Recurrence (BCR) Signature: A way towards Precision Oncology-Pathology Framework at NUST. 2024
DR
Dr. Aejaz Nasir (BJ’s Diagnostic & Precision Oncology, USA)
BI
Bilal Ahmed (University of Rochester School of Medicine & Dentistry)
Project Status: Approved_inprocess Rs: 1.0 M Approval Date: 2024-08-19 Completion Date: N/A
Funding Agency: NUST
ARG-PRISM: Machine Learning-based framework for precise identification of antibiotic resistance genes from metagenomes 2024
Project Status: Approved_inprocess Rs: 1.0 M Approval Date: 2024-08-19 Completion Date: N/A
Funding Agency: NUST
NUST Biomedical Data Bank (NBDB); A Roadmap to Personalized Medicine (Phase-I) 2023
Project Status: Completed Rs: 1.0 M Approval Date: 2023-12-27 Completion Date: 2025-02-28
Funding Agency: NUST
Probing the lipophilic efficiency & selectivity profiles of Inhibitors of multidrug transport proteins 2012
DR
DR. Jamil Ahmad
Project Status: Completed Rs: 0.5 M Approval Date: 2012-08-28 Completion Date: 2015-12-02
Funding Agency: HEC
Pharmacoinformatics Approaches to Design Dual Inhibitors of Tyrosine Kinase Domain of IR and IGF-1R 2017
Project Status: Completed Rs: 2.5 M Approval Date: 2017-04-05 Completion Date: 2020-10-12
Funding Agency: HEC
Development of Tracking Portal for restoration of habitats 2021
Project Status: Approved_inprocess Rs: 1.9 M Approval Date: 2021-10-26 Completion Date: 2023-04-30
Funding Agency: Serena Hotels
41
Research Articles
1
Conference Proceedings
0
Books
1
Book Chapters
10
Editorial Activities
Experimentally Validated Pharmacoinformatics Approach to Predict hERG Inhibition Potential of New Chemical Entities 2018
SA
Saba Munawar (-)
MO
Monique J. Windley (The Victor Chang Cardiac Research Institute)
ED
Edwin G. Tse (The University of Sydney)
MA
Matthew H. Todd (The University of Sydney)
AD
Adam P. Hill (The Victor Chang Cardiac Research Institute)
JA
Jamie I. Vandenberg (The Victor Chang Cardiac Research Institute)
Journal: Frontiers in Pharmacology, Volume 9, Article Number 1035
Impact Factor: 3.845 Citations: 40 Quartile: 1
Pharmacophore modeling for identification of anti-IGF-1R drugs and in-vitro validation of fulvestrant as a potential inhibitor 2018
SA
Samra Khalid (-)
QA
Qaisar Mansoor (Institute of Biomedical and Genetic Engineering)
MU
Muhammad Ismail (Institute of Biomedical and Genetic Engineering)
Journal: PlosOne, NULL
Impact Factor: 2.766 Citations: 9 Quartile: 2
Pharmacoinformatic Approaches to Design Novel Inhibitors of Protein Kinase B Pathways in Cancer 2018
NO
Noreen Akhtar (-)
Journal: Current Cancer Drug Targets, NULL
Impact Factor: 2.720 Citations: 7 Quartile: 3
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 2018
AM
Amna Younus (-)
SA
Saba Munawar (-)
AQ
Aqsa Ikram (-)
FA
Faryal Mehwish Awan (-)
MU
Muhammad Arshad (International Islamic University)
Journal: Genes , Volume 9(5), Article Number 228
Impact Factor: 3.331 Citations: 1 Quartile: 2
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 2016
NO
Noreen Akhtar (-)
Journal: PLoS ONE, Volume: 11 Issue: 12
Impact Factor: 2.806 Citations: 5 Quartile: 1
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 2013
PE
Penpun Wetwitayaklung (University of Vienna)
PE
Peter Chiba (Medical University of Vienna)
MA
Manuel Pastor (Universitat Pompeu Fabra)
GE
Gerhard Ecker (University of Vienna)
Journal: Journal of Computer-Aided Molecular Design, Volume 27, Issue 2, Pages 161-171
Impact Factor: 2.782 Citations: 22 Quartile: 1
Molecular Modeling Studies to Probe the Binding Hypothesis of Novel Lead Compounds against Multidrug Resistance Protein ABCB1 2024
YA
Yasmeen Cheema
KE
Kenneth J. Linton (Queen Mary University of London)
Journal: Biomolecules, Volume 14(1), Article Number 114
Impact Factor: 5.5 Citations: 7 Quartile: 1
SDG 3
Molecular modelling and gene expression analysis to probe the GT-γ trihelix transcription factors in Solanum tuberosum under drought stress 2025
Journal: Scientific Reports, Volume 15, Article Number: 12471
Impact Factor: 3.800 Citations: 0 Quartile: 1
SDG 2
Prodomain processing controls BMP-10 bioactivity and targeting to fibrillin-1 in latent conformation 2025
CH
Chara E. S. Spanou (University of Cologne)
CH
Chengeng Yang (University of Connecticut)
AL
Alan R. F. Godwin (University of Manchester)
ST
Stefanie Morosky (University of Pittsburgh)
AR
Arulselvi Anbalagan (University of Pittsburgh)
ST
Steffen Lütke (University of Cologne)
MA
Matthias Mörgelin (Lund University)
FA
Fady Marcous (University of Cologne)
UB
Ubair Aziz
AL
Alexander P. Wohl (University Hospital of Cologne)
MA
Manuel Koch (University Hospital of Cologne)
TH
Thomas A. Jowitt (University of Manchester)
BE
Beth L. Roman (University of Pittsburgh)
AN
Anna Tarakanova (University of Connecticut)
CL
Clair Baldock (University of Manchester)
GE
Gerhard Sengle (University of Cologne)
Journal: FASEB Journal, Volume 39, Issue 3, Article Number e70373
Impact Factor: 4.400 Citations: 2 Quartile: 1
SDG 3
Cocrystallization of 5-FU and novel sulfathiazole Schiff bases: Synthesis, theoretical and experimental anticancer evaluation against MCF-7 and SW-480 cancer cell lines 2025
AQ
Aqsa Aslam (GC Women University Faisalabad)
AY
Ayesha Parveen (GC Women University Faisalabad)
NA
Nargis Bano (GC Women University Faisalabad)
MU
Muhammad Hassan (Anhui Medical University)
US
Usman Aftab (University of Health Sciences Lahore)
MA
Mah E Hareem
F
Farhat Jubeen (GC Women University Faisalabad)
JA
Jawaher Shawaf (University of Tunis)
AR
Arif Nazir (University of Lahore)
MU
Munawar Iqbal (University of the Punjab)
Journal: Journal of Molecular Liquids, Volume 420, Article Number 126850
Impact Factor: 5.300 Citations: 0 Quartile: 1
SDG 3
Dynamics simulations of hypoxia inducible factor-1 regulatory network in cancer using formal verification techniques 2024
HA
Hafiz Muhammad Faraz Azhar
Journal: Frontiers in Molecular Biosciences, Volume 11, Article Number 1386930
Impact Factor: 3.900 Citations: 0 Quartile: 2
SDG 3
Molecular Modeling Studies to Mimic the Binding Hypothesis of NEU3 Sialidase and EGFR in Nonsmall Cell Lung Carcinoma 2024
AQ
Aqsa Khalid
SA
Salma Hafeez
Journal: Journal of Computational Biophysics and Chemistry, Vol: 23, No: 09, Pages: 1233-1252
Impact Factor: 2.0 Citations: 0 Quartile: 3
SDG 3
Structure-Based Pharmacophore Models to Probe Anticancer Activity of Inhibitors of Protein Kinase B-beta (PKB ß) 2019
NO
Noreen Akhtar (-)
NA
Nasir Jalal (Tianjin University)
JO
Jon Antilla (Tianjin University)
Journal: Chemical Biology & Drug Design, Volume 93(3), Pages 325-336
Impact Factor: 2.548 Citations: 6 Quartile: 3
Molecular Docking Guided Grid-Independent Descriptor Analysis to Probe the Impact of Water Molecules on Conformational Changes of hERG Inhibitors in Drug Trapping Phenomenon 2019
SA
Saba Munawar (-)
J
Jamie I. Vandenberg (The Victor Chang Cardiac Research Institute)
Journal: International Journal of Molecular Sciences, Volume: 20, Issue: 14, Article Number: 3385
Impact Factor: 4.556 Citations: 19 Quartile: 1
Modeling and Simulation of hGAT1: A Mechanistic Investigation of the GABA Transport Process 2019
SA
Sadia Zafar (-)
ME
Megin E. Nguyen (University of Minnesota)
R
Ramaiah Muthyala (University of Minnesota)
YU
Yuk Y. Sham (University of Minnesota)
Journal: Computational and Structural Biotechnology Journal, Volume 17, Pages 61-69
Impact Factor: 6.018 Citations: 7 Quartile: 1
GRID-independent molecular descriptor analysis and molecular docking studies to mimic the binding hypothesis of γ-aminobutyric acid transporter 1 (GAT1) inhibitors 2019
SA
Sadia Zafar (-)
Journal: PeerJ, Volume 7, Article no e6283
Impact Factor: 2.379 Citations: 6 Quartile: 2
Structure−Activity Relationships, Ligand Efficiency, and Lipophilic Efficiency Profiles of Benzophenone-Type Inhibitors of the Multidrug Transporter P-Glycoprotein 2012
KA
Karin Pleban (University of Vienna)
UW
Uwe Rinner (University of Vienna)
PE
Peter Chiba (Medical University of Vienna)
GE
Gerhard Ecker (University of Vienna)
Journal: Journal Of Medicinal Chemistry, Volume 55, Issue 7, Pages 3261-3273
Impact Factor: 5.614 Citations: 104 Quartile: 1
An Intelligent Healthcare System Using IoT in Wireless Sensor Network 2023
TA
Tallat Jabeen
HU
Humaira Ashraf (International Islamic University)
N.
N. Z. Jhanjhi (Taylor's University)
AB
Abdulsalam Yassine (Lakehead University)
M
M. Shamim Hossain (King Saud University)
Journal: Sensors, Volume: 23, Issue: 11, Article Number:5055
Impact Factor: 3.9 Citations: 52 Quartile: 2
SDG 3
Pharmacoinformatic approaches to design natural product type ligands of ABC-transporters 2010
P.
P. Chiba (Medical University of Vienna)
FR
Freya Klepsch (University of Vienna, Austria)
GE
Gerhard Ecker (University of Vienna)
Journal: Current Pharmaceutical Design, Volume: 16 Issue: 15 Pages: 1742-1752
Impact Factor: 4.774 Citations: 18 Quartile: 1
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, 2014
ZA
Zahida Parveen (Medical University Vienna)
G
Gerda Brunhofer (University of Vienna)
TH
Thomas Erker (Medical University Vienna)
PE
Peter Chiba (University of Vienna)
GE
Gerhard Ecker (Medical University Vienna)
Journal: Bioorganic & Medicinal Chemistry, Volume 22, Issue 7, Pages 2311-2319
Impact Factor: 2.793 Citations: 44 Quartile: 2
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 2011
PE
Penpun Wetwitayaklung (University of Vienna)
FR
Freya Klepsch (University of Vienna)
Z
Zahida Parveen (Medical University of Vienna)
PE
Peter Chiba (Medical University of Vienna)
GE
Gerhard Ecker (University of Vienna)
Journal: Chemical Communications, Volume 7, Issue 9
Impact Factor: 6.169 Citations: 23 Quartile: 1
A Monte Carlo Based COVID-19 Detection Framework for Smart Healthcare 2022
TA
Tallat Jabeen
HU
Humaira Ashraf (International Islamic University)
NZ
Nz Jhanjhi (Taylor's University)
MA
Mamoona Humayun (Jouf University)
ME
Mehedi Masud (Taif University)
SU
Sultan Aljahdali (Taif University)
Journal: CMC-Computers, Materials & Continua, Volume 70, No.2, Pages 2365-2380
Impact Factor: 3.772 Citations: 17 Quartile: 2
SDG 15
Anticancer potential of novel 5-Fluorouracil co-crystals against MCF7 breast and SW480 colon cancer cell lines along with docking studies 2022
FA
Farhat Jubeen (GC Women University Faisalabad)
SA
Sana Ijaz (GC Women University Faisalabad)
US
Usman Aftab (University of Health Sciences Lahore)
WA
Wajeeha Mehdi
AW
Awais Altaf (University of Lahore)
SI
Siham A. Alissa (Princess Nourah Bint Abdul Rahman University)
HA
Hanan A. Al-Ghulikah (Princess Nourah Bint Abdul Rahman University)
SA
Safa Ezzine (King Khalid University)
IM
Imen Bejaoui (King Khalid University)
MU
Munawar Iqbal (University of Education)
Journal: Arabian Journal of Chemistry, Volume 15, Issue 12, Article Number 104299
Impact Factor: 6.212 Citations: 18 Quartile: 2
SDG 3
Combined Pharmacophore and Grid-Independent Molecular Descriptors (GRIND) Analysis to Probe 3D Features of Inositol 1,4,5-Trisphosphate Receptor (IP3R) Inhibitors in Cancer 2021
HU
Humaira Ismatullah
Journal: International Journal of Molecular Sciences, Volume 22(23), Article Number 12993
Impact Factor: 5.923 Citations: 6 Quartile: 1
SDG 3
Decoding the Role of Epigenetics in Breast Cancer Using Formal Modeling and Machine-Learning Methods 2022
Journal: Frontiers in Molecular Biosciences, Volume 9, Article Number 882738
Impact Factor: 6.113 Citations: 0 Quartile: 1
SDG 3
Molecular docking and pharmacophore models to probe binding hypothesis of inhibitors of hypoxia inducible factor-1 2021
ZA
Zaira Rehman (-)
AM
Ammad Fahim (National University of Medical Sciences)
Journal: Journal of Biomolecular Structure and Dynamics, Pages 1-12
Impact Factor: 0 Citations: 1 Quartile: N/A
Biological Regulatory Network (BRN) Analysis and Molecular Docking Simulations to Probe the Modulation of IP3R Mediated Ca2+ Signaling in Cancer 2020
HU
Humaira Ismatullah (-)
Journal: Genes, Volume 12(1), Article Number 34
Impact Factor: 4.096 Citations: 7 Quartile: 2
Synthesis, Characterization, Theoretical and Experimental Anticancer Evaluation of Novel Cocrystals of 5-Fluorouracil and Schiff Bases against SW480 Colorectal Carcinoma 2023
FA
Farhat Jubeen (GC Women University Faisalabad)
US
Usman Aftab (University of Health Sciences Lahore)
SA
Sadia Noor (University of Hohenheim)
MA
Mah e Hareem
MI
Misbah Sultan (University of the Punjab)
MO
Mohsin Kazi (King Saud University)
Journal: Pharmaceutics, Volume 15(7), Article Number 1929
Impact Factor: 5.4 Citations: 3 Quartile: 1
SDG 3
Identification and Empiric Evaluation of New Inhibitors of the Multidrug Transporter P-Glycoprotein (ABCB1) 2023
YA
Yasmeen Cheema
KE
Kenneth J. Linton (Queen Mary University of London)
Journal: International Journal of Molecular Sciences, Volume 24, Issue 6, Article Number
Impact Factor: 6.208 Citations: 5 Quartile: 1
SDG 3
Biological regulatory network analysis for targeting the mitochondrial calcium uniporter (MCU) mediated calcium (Ca 2+ ) transport in neurodegenerative disorders 2024
UM
Umar Amjad
UB
Ubair Aziz
Journal: Cell Biochemistry and Function, Volume: 42, Issue:05, Article Number: e4082
Impact Factor: 2.8 Citations: 0 Quartile: 3
SDG 3
Combined Machine Learning and GRID-Independent Molecular Descriptor (GRIND) Models to Probe the Activity Profiles of 5-Lipoxygenase Activating Protein Inhibitors 2022
HA
Hafiza Aliza Khan
Journal: Frontiers in Pharmacology , Volume 13, Article Number 825741
Impact Factor: 5.810 Citations: 4 Quartile: 1
Smart Wireless Sensor Technology for Healthcare Monitoring System Using Cognitive Radio Networks 2023
TA
Tallat Jabeen (University of Technology Sydney)
HU
Humaira Ashraf (International Islamic University)
AT
Atta Ullah (National University of Modern Languages)
NO
Noor Zaman Jhangi (Taylor’s University)
RA
Rania M. Ghoniem (Princess Nourah bint Abdulrahman University)
SA
Sayan Kumar Ray (Taylor's University)
Journal: Sensors, Volume 23(13), Article Number 6104
Impact Factor: 3.9 Citations: 8 Quartile: 2
SDG 3
DFT and Molecular Docking Study of HA-Conjugated SWCNTs for CD44-Targeted Delivery of Platinum-Based Chemotherapeutics 2025
MU
Muhammad Uzair Khan
A
Abdulhamid Althagafi (King Abdulaziz University)
MU
Muhammad Umar Farooq (Shanghai Jiao Tong University)
M
Moussab Harb (King Abdulaziz University)
B
Bassim Arkook (King Abdulaziz University)
Journal: Pharmaceuticals, Volume 18(6), Article Number 805
Impact Factor: 4.300 Citations: 0 Quartile: 1
SDG 3
Grid-independent Descriptors (GRIND) Analysis and SAR Guided Molecular Docking Studies to Probe Selectivity Profiles of Inhibitors of Multidrug Resistance Transporters ABCB1 and ABCG2, 2017
TA
Talha Shafi (-)
Journal: Current Cancer Drug Targets, Volume 17, Number 2, Pages 177-190
Impact Factor: 2.626 Citations: 0 Quartile: 3
Probing the binding hypothesis of Smad3 modulators by molecular dynamic simulations for Atherosclerosis Cardiovascular Disease (ASCVD)
UB
Ubair Aziz
Journal: PLoS One, Accepted
Impact Factor: 2.900 Citations: 0 Quartile: 1
SDG 3
In silico Strategies to Probe Stereoselective Interactions of Multidrug Resistant Transporter P-glycoprotein 2015
Journal: Letters in Drug Design & Discovery, ISSN:1570-1808, Vol.13, No.8, Pages 824-832, October 2016, Volume 13, Issue 8, Pages 824-832
Impact Factor: 0.974 Citations: 0 Quartile: 4
Exploring the Chemical Space of Cytochrome P450 Inhibitors Using Integrated Physicochemical Parameters, Drug Efficiency Metrics and Decision Tree Models 2019
Journal: COMPUTATION, Volume 7, Issue 2
Impact Factor: 0 Citations: 6 Quartile: N/A
Molecular docking simulations and GRID-independent molecular descriptor (GRIND) analysis to probe stereoselective interactions of CYP3A4 inhibitors 2017
Journal: Medicinal Chemistry Research, Volume: 26 Issue: 10 Pages: 2322-2335
Impact Factor: 1.607 Citations: 10 Quartile: 4
Molecular Dynamics Simulation Framework to Probe the Binding Hypothesis of CYP3A4 Inhibitors 2019
KA
Kara E. Ranaghan (University of Bristol)
A
Adrian J. Mulholland (University of Bristol)
Journal: International Journal of Molecular Sciences, Volume 20, Issue 18, Article Number 4468
Impact Factor: 4.556 Citations: 24 Quartile: 1
Lipophilic Metabolic Efficiency (LipMetE) and Drug Efficiency Indices to Explore the Metabolic Properties of the Substrates of Selected Cytochrome P450 Isoforms 2020
Journal: ACS Omega, Volume 5(1), Pages 179-188
Impact Factor: 3.512 Citations: 28 Quartile: 2
Molecular Dynamic Simulations to Probe Stereoselectivity of Tiagabine Binding with Human GAT1 2020
SA
Sadia Zafar (-)
Journal: Molecules, Volume 25(20), Article Number 4745
Impact Factor: 4.412 Citations: 5 Quartile: 2
(Keynote Speaker) Artificial Intelligence in healthcare: potential and pitfalls in Pakistan
Conference: ICCON 2024: Game Changing Solutions in Health Care
Citations: N/A
Challenges of Protein-Protein Docking of the Membrane Proteins 2024
Book: Book on Protein-Protein Docking: Methods in Molecular Biology (Chapter 12, Volume:2780, Page:203-255)
Citations: 2
SDG 3
Journal of Molecular Structure 2024
Reviewed Papers for Journals
Impact Factor: 3.8
Journal of Molecular Structure 2023
Reviewed Papers for Journals
Impact Factor: 3.8
Chemistry & Biodiversity 2023
Reviewed Papers for Journals
Impact Factor: 2.745
Cell biochemistry and function 2023
Reviewed Papers for Journals
Impact Factor: N/A
Journal of biomolecular structure & dynamics 2023
Reviewed Papers for Journals
Impact Factor: N/A
Journal of Biomolecular Structure & Dynamics 2023
Reviewed Papers for Journals
Impact Factor: 5.23
Frontiers in Molecular Neuroscience 2022
Reviewed Papers for Journals
Impact Factor: 6.261
2022
Reviewed Papers for Journals
Impact Factor: 5.235
2022
Reviewed Papers for Journals
Impact Factor: 2.307
2022
Reviewed Papers for Journals
Impact Factor: 4.632
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0
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0
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