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Label
Dr. Sara Khan
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Designation:
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Assistant Professor
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Email:
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sarakhan@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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MD Simulations and Molecular Docking
Free Energy studies
QM/MM studies
Proteomics
Astro Chemistry
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Academics/ Degrees
PhD, Computational Chemistry 2017 COMSATS
University, Islamabad Abbottabad Campus
MS, Natural Product Chemistry 2012 COMSATS
University, Islamabad Abbottabad Campus
Publications/Papers
2024
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Journal
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Aneesa Zia ,Ayesha Shahzad ,N. Riaz,S. Khan,U.Farooq,S. M. Bukhari,R. Sarwar,Asaad Khalid,Hamdy Kashtoh , Ajmal Khan,Ahmed Al-Harrasi
"Enhancement efficacy of omeprazole by conjugation with silver nanoparticles as a urease inhibitor"
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Green Processing and Synthesis
,Volume 13
,Issue 1
,Page 20230229
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2024
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R. V. K. Tchebou,U.Farooq,S. Khan,R. B. Teponno,T. A. Wani,L. A. Tapondjou,A. Rasool,R. Sarwar,A. Khushal,S. M. Bukhari,S. Zargar,H. -G. Xu
"Exploring Cassia mimosoïdes as a promising natural source of steroids with potent anti-cancer, urease inhibition, and antimicrobial properties"
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RSC Advances
,Volume 14
,Page 9159
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2024
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A. Zia,R. Sarwar,A. Al-Harrasi,A. Shahzad,N. Riaz,S. Khan,U.Farooq,S. M. Bukhari,A. Khalid,H. Kashtoh,A. Khan
"Enhancement efficacy of Omeprazole by conjugation with silver nanoparticles as a urease inhibito"
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Green Processing and Synthesis
,Volume 13
,Page 20230229
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2024
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2023
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Journal
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K. Shahzadi,S. Khan,S. M. Bukhari,A. Zaidi,T. A. Wani,M. S. Jan,S. Zargar,U. Rashid,U.Farooq,A. Khushal
"Novel Coumarin Derivatives as Potential Urease Inhibitors for Kidney Stone Prevention and Antiulcer Therapy: From Synthesis to In Vivo Evaluation"
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pharmaceuticals
,Volume 16
,Issue 11
,Page 1552
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2023
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A. Khushal,S. Khan,U.Farooq,A. Rasul,T. A. Wani,S. Zargar,Sohail Anjum Shahzad,S. M. Bukhari,N. A. Khan
"Bioactivity-Guided Synthesis: In Silico and In Vitro Studies of β-Glucosidase Inhibitors to Cope with Hepatic Cytotoxicity"
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Molecules
,Volume 28
,Issue 18
,Page 6548
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2023
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S. Mir,S. M. Bukhari,U. Shah,A. Zaidi,S. Khan,R. Sarwar
"Synthesis and Characterization of benzanthrone derivatives"
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Ravian Journal of Chemical Sciences
,Volume 1
,Issue 1
,Page 11-18
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2023
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2022
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Journal
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A. Saleem,S. M. Bukhari,U. Younas,A. Zaidi,S. Khan,Z. Saeed,M. Pervaiz,G. Muhammad,S. Shaheen
"Antioxidant and cytotoxic activities of different solvent fractions from Murraya koenigii shoots: HPLC quantification and molecular docking of identified phenolics with anti-apoptotic proteins"
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Bulletin of the Chemical Society of Ethiopia
,Volume 36
,Issue 3
,Page 651-666
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2022
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A. Saleem,U.Farooq,S. Khan,Ahson J. Shaikh,Sohail Anjum Shahzad,Farhan Khan,A. Zaidi,S. M. Bukhari,R. Sarwar,T. A. Wani,S. Mahmud,M. Israr
"Isoxazole Derivatives Against Carbonic Anhydrase: Synthesis, Molecular Docking, MD simulations, free energy calculations coupled with In-vitro Studies"
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ACS Omega
,Volume 7
,Page 30359-30368
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2022
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U.Farooq,S. Khan,Sohail Anjum Shahzad,S. M. Bukhari,S. Naz,T. A. Wani,A. T. Aborode,S. Zargar
"Three new acrylic acid derivatives from Achillea mellifolium as potential inhibitors of urease from jack bean and α-glucosidase from Saccharomyces cerevisiae"
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Molecules
,Volume 27
,Issue 5004
,Page 1-18
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2022
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Basharat Ahmad,S. Khan,U.Farooq,Amir Saeed,Melvin A Castrosanto ,Muhammad Amir Zia ,Zaheer Abbas
"Identification of natural marine compounds as potential inhibitors of CDK2 using molecular docking and molecular dynamics simulation approach"
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Journal Biomolecular Structure and Dynamics
,Volume 41
,Issue 17
,Page 8506-8516
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2022
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2021
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Journal
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Z. Zaman,S. Khan,S. Khan,U.Farooq,F. Nouroz,A. Urooj
"Targeting Tyrosine Phosphatase to unravel potential inhibitors to treat Pneumonia using molecular docking, MD simulations and free energy calculations"
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Life Sciences
,Volume 264
,Page 118621
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2021
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2020
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Journal
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S. Naz,U.Farooq,R. Sarwar,S. Khan,Y. K. Mabkhot,M. Saeed,A. Alsayari,A. B. Muhsinah,Z. Ul-Haq,S. Khan
"Pharmacophore model-based virtual screening, docking, biological evaluation and molecular dynamics simulations for inhibitors discovery against α-tryptophan synthase from Mycobacterium tuberculosis."
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Journal of Biomolecular Structure and Dynamics
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2020
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2017
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Journal
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U.Farooq,Afsar Khan,S. Khan,A.R. Khan,S. M. Bukhari,S. Naz,A. Ahmed,A. Rauf,S. A. Khan,A. Kamil,N. Riaz,A. Khan,S. Khan
"Three new anthraquinones derivatives isolated from Symplocos racemosa and their antibiofim activity"
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Chinese Journal of Natural Medicine
,Volume 15
,Issue 12
,Page 0944-0949
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2017
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R. Sarwar,U.Farooq,Muhammad Raza Shah,S. Khan,N. Riaz,Sadia Naz,A. Ibrar,Ajmal Khan
"Rapid Synthesis of Gold Nanoparticles from Quercus incana and Their Antimicrobial Potential against Human Pathogens"
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Applied Sciences
,Volume 7
,Issue 29
,Page 1-12
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2017
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2016
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Journal
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U.Farooq,Afsar Khan,Ajmal Khan,Sadia Naz,Sara Khan,Mumtaz Ali,Saleha Suleman Khan,S. Khan
"Isolation and characterisation of three new anthraquinone secondary metabolites from Symplocos racemosa"
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Natural Product Research
,Volume 30
,Issue 2
,Page 168-173
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2016
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Asma Bibi,U.Farooq,Afsar Khan,R. Sarwar,S. Khan,Sadia Naz,Qaisar Mahmood,Arif Alam,Nosheen Mirza
"Phytoextraction of Hg by parsley (Petroselinum crispum) and its growth responses"
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International Journal of Phytoremediation
,Volume 18
,Issue 4
,Page 354-357
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2016
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Sara Khan, Maria Kurnikova,U.Farooq,S. Khan
"Exploring Protein Stability by Comparative Molecular Dynamics Simulations of Homologous Hyperthermophilic, Mesophilic, and Psychrophilic Proteins"
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Journal of Chemical Information nd Modeling
,Volume 56
,Issue 11
,Page 2129–2139
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2016
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2015
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Journal
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R. Sarwar,U.Farooq,Afsar Khan,S. Khan,Sadia Naz,Abdur Rauf,Haji Bahadar,Reaz Uddin,Ajmal Khan
"Evaluation of Antioxidant, Free Radical Scavenging, and Antimicrobial Activity of Quercus incana Roxb."
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Frontiers in Pharmacology
,Volume 6
,Page Article 277
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2015
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Associations/Memberships
Oral Presentation in National Conferences
- Second “National
conference on Emerging Trends in Bioinformatics and Biological Sciences”
Aug-2018 at Hazara University
- Third “National conference
on Emerging Trends in Bioinformatics and Biological Sciences” Sep-2019 at
Hazara University
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