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Label
Syed Jawad Ali Shah
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Designation:
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Research Associate
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Email:
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syedjawadali@cuiatd.edu.pk
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Phone No. :
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N/A
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Role:
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Faculty
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Research Interests:
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High Performance Computing, Computer Aided Drug Design and Discovery (CADD), SBDD, FBDD, Pharmacophore Modelling, vHTS, Homology Modelling, Molecular Docking, Molecular Dynamic Simulations, Pyhton, Bash scripting.
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Publications/Papers
2020
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Journal
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Jawad Shah,Haiyang Zhong,Zerong Xu,Qianqian Zhang,Huanxiang Liu,Xiaojun Yao,Hongli Liu
"The misfolding mechanism of the key fragment R3 of tau protein: a combined molecular dynamics simulation and Markov state model study"
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Physical Chemistry Chemical Physics
,Volume 22
,Issue 19
,Page 10968-10980
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2020
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Jawad Shah,Shuoyan Tan,Tong Xiao,Hongli Liu,Huanxiang Liu,Qianqian Zhang
"Probing the Molecular Mechanism of Rifampin Resistance Caused by the Point Mutations S456L and D441V on Mycobacterium tuberculosis RNA Polymerase through Gaussian Accelerated Molecular Dynamics Simulation"
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Antimicrobial Agents and Chemotherapy
,Volume 64
,Issue 7
,Page e02476-19
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2020
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2018
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Journal
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Dr. Jamshed Iqbal,Abdul Hameed,Jonna Lecka,Jean Sevigny,A.Ejaz,Jawad Shah,Aamer Saeed
"Distinctive inhibition of alkaline phosphatase isozymes by thiazol‐2‐ylidene‐benzamide derivatives: Functional insights into their anticancer role"
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Journal of Cellular Biochemistry
,Volume 119
,Issue 8
,Page 6501-6513
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2018
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2017
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Journal
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Dr. Jamshed Iqbal,Peter Ehlers,Alexander Villinger,Eva Frank,Gyula Schneider,Janos Wolfling,Qamar Rahman,Peter Langer,A.Ejaz,Jawad Shah,Anton Ivanov
"Synthesis, functionalization and biological activity of arylated derivatives of (+)-estrone"
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Bioorganic & Medicinal Chemistry
,Volume 25
,Issue 3
,Page 949-962
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2017
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2016
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Journal
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Dr. Jamshed Iqbal,Sebastian Boldt,Zaib un Nisa,Peter Ehlers,Alexander Villinger,Gyula Schneider,Janos Wolfling,Qamar Rahman,Peter Langer,Jawad Shah,Anton Ivanov
"Synthesis and phosphatase inhibitory activity of 3-alkynylestrones and their derivatives"
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RSC Advances
,Volume 6
,Issue 14
,Page 11118-11127
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2016
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Dr. Jamshed Iqbal,Imtiaz Khan,Shahid Hameed,Jawad Shah,Y.tehseen,Hina Andleeb
"Identification of novel pyrazole–rhodanine hybrid scaffolds as potent inhibitors of aldose reductase: design, synthesis, biological evaluation and molecular docking analysis"
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RSC Advances
,Volume 6
,Issue 81
,Page 77688-77700
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2016
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Dr. Jamshed Iqbal,Viktor O. laroshenko,Alexander Villinger,Vyacheslav Ya. Sosnovskikh,Afshin Abbasi,Peter Langer,A.Ejaz,Jawad Shah,Iryna Savych
"Reactions of 3‐Acylchromones with Heterocyclic Ketene Aminals: One‐Pot Synthesis and Phosphatase Inhibitory Activity of Fused Pyridine Derivatives"
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European Journal of Organic Chemistry
,Volume 2017
,Issue 1
,Page 186-202
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2016
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Dr. Jamshed Iqbal,Zaib un Nisa,Joanna Lecka,Jean Sevigny,Jurgen Bajorath,Aamer Saeed,Jawad Shah,S. Hassan,Parvaiz Ali Channar
"Isonicotinohydrazones as inhibitors of alkaline phosphatase and ecto‐5′‐nucleotidase"
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Chemical biology & drug design
,Volume 89
,Issue 3
,Page 365-370
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2016
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2015
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Journal
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Dr. Jamshed Iqbal,Aliya Ibrar,Shahid Hameed,Joanna Lecka,Jose Luis Millan,Jean Sevigny,Jawad Shah,A.Ejaz,Imtiaz Khan
"Investigation of quinoline-4-carboxylic acid as a highly potent scaffold for the development of alkaline phosphatase inhibitors: synthesis, SAR analysis and molecular modelling studies"
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RSC Advances
,Volume 5
,Issue 1
,Page 64404-64413
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2015
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Dr. Jamshed Iqbal,Aliya Ibrar,Shafi Ullah Khan,Shahid Hameed,Jim Simpson,Joanna Lecka,Jean Sevigny,A.Ejaz,Jawad Shah,Imtiaz Khan
"Influence of the diversified structural variations at the imine functionality of 4-bromophenylacetic acid derived hydrazones on alkaline phosphatase inhibition: synthesis and molecular modelling studies"
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RSC Advances
,Volume 5
,Issue 1
,Page 90806-90818
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2015
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Dr. Jamshed Iqbal,Syeda T.Zehra,Khalid M. Khan,Rima D. Alharthy,Norbert Furtmann,Jurgen Bajorath,Muhammad N. Tahir,Jawad Shah,Abdul Hameed
"Syntheses, Cholinesterases Inhibition, and Molecular Docking Studies of Pyrido[2,3-b]pyrazine Derivatives"
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Chemical Biology & Drug Design
,Volume 86
,Issue 5
,Page 1115-1120
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2015
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Dr. Jamshed Iqbal,Andranik Petrosyan,Raji Akeem Adewale,Peter Ehlers,Tatevik Grigoryan,Anna F. Mkrtchyan,Zorayr Z. Mardiyan,Ani J. Karapetyan,Avetis H. Tsaturyan,Ashot S. Saghyan,Peter Langer,Jawad Shah,Silvio Parpart
"Synthesis of optically pure (S)-2-amino-5-arylpent-4-ynoic acids by Sonogashira reactions and their potential use as highly selective potent inhibitors of aldose reductase"
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RSC Advances
,Volume 5
,Issue 130
,Page 107400-107412
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2015
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