Biographical Sketch

Current Status:

Professor (Tenured)

Dr. Panjwani Center for Molecular Medicine & Drug Research

International Center for Chemical & Biological Sciences

University of Karachi, Karachi-75210, Pakistan

Research Interest:

• Design of new bio-active molecules using computer aided modeling techniques

• Modeling of small organic molecules, proteins, and protein-ligand interactions

• Ligand based and structure based pharmacophore design

• Generation and screening of large virtual combinatorial compound libraries

• Molecular activity determination using 3D-QSAR or quantum chemistry calculations

• Molecular Dynamics (MD) simulations studies of protein-ligand complex

Academics:

Postdoctoral Fellow,

Advisor Prof. Dr. DDDr. h. c. Bernd Michael Rode, (2002-2003)

University of Innsbruck, Innsbruck, Austria, (MD Simulation, Docking, Modelling and QSAR studies)

Ph. D. (Chemistry)

Advisor Prof. Dr. Atta-ur-Rahman, (1998- 2002)

Minister of Science and Technology, Director H.E.J. Research Institute of Chemistry,

University of Karachi. (Isolation, Purification and Structural Elucidation of Bio-active Natural Products)

M.Phil. / Ph.D. courses at HEJ University of Karachi (1998-1999)

M. Sc. (Organic Chemistry), University of Karachi, Pakistan. (1996-1998)

B. Sc. (Hons.) (Chem., Biochem. & Physiology) University of Karachi, Pakistan. (1993-1996)

Experience:

Professor (July 2020 - Till Date)

Dr. Panjwani Center for Molecular Medicine and Drug Research,

International Center for Chemical and Biological Sciences

University of Karachi.

http://www.iccs.edu

Associate Professor (Jan 2016 - June 2020)

Dr. Panjwani Center for Molecular Medicine and Drug Research,

International Center for Chemical and Biological Sciences

University of Karachi.

http://www.iccs.edu

Assistant Professor (March 2004 - Dec 2015)

Dr. Panjwani Center for Molecular Medicine and Drug Research,

International Center for Chemical and Biological Sciences

University of Karachi.

http://www.iccs.edu

AvH Scholarship (Visiting Scientist) (Oct 2010 - Dec 2013)

Molecular and Cellular Modeling Group

Heidelberg Institute of Theoretical Studies

Schloss-Wolfsbrunnenweg 35

69118 Heidelberg, Germany

Proficiencies:

· Preliminary understanding of computational chemistry theory, and very proficient in the operation of most computational chemistry software.

· Detailed knowledge of computers operating system including UNIX, Linux, Macintosh and Windows, Installation, maintenance and repairing. All major word processing, presentation, and database manipulation software packages.

· Experience in Medicinal Chemistry packages including Amber, Sybyl, Autodock, Rasmol, Molmol, , FlexX, Gaussian, GaussView, Molden, CS Chem Office, software compilation, desktop publishing, and hardware assembly.

· Detailed knowledge of almost all organic laboratory equipment, especially NMR (including 19F-NMR, 2D-NMR, and chiral shift reagents), FT-IR, GC, GC-MS, LC-MS, HPLC (analytical and prep), chromatography, photochemical apparatus, low temperatures, inert atmospheres.

· Isolation, degradation, and derivatisation of natural products. Structure elucidation with modern NMR techniques including acquisition of 2D NOE and inverse detected experiments. Use of current analytical and predictive tools including HPLC, GCMS, LCMS and Counter current chromatography.

· Proficient with the operation, maintenance, and small repairs of technical and sensitive lab equipment (HPLC pumps, rotary chromatotrons, vacuum apparatus)

· Success as a laboratory and tutorial instructor in general and organic chemistry, Experienced working in a multidisciplinary team. Appropriate organization, record keeping, verbal and written communication skills.

Manuscript Reviewer:

Journal of Medicinal Chemistry

Journal of Chemical Information and Computer Sciences

Journal of Bio-organic and Medicinal Chemistry Letters

Egyptian Pharmaceutical Journal

Journal of Enzyme Inhibition and Medicinal Chemistry

Chemical Biology & Drug Design

Journal of Molecular Modeling

Journal of Molecular Graphics and Modelling

Editorial Board Member

1) Journal of Molecular Graphics and Modelling

2) Current Computer Aided Drug Design

3) The Natural Products Journal

Conferences/Workshops Organized:

Organized On Day Hands-on Workshop on Computer-Aided Drug Design and Discovery, COMSATS University, Abbottabad, 19^th January, 2022.

Organized Workshop on Bioinformatics & Computational Biology for Beginners, Ziauddin University, December 7-8, 2021.

Editorial Board member on 16^th Joint Conference on Chemistry “Visualizing the Latest Upfront of Chemistry Research and Education for a Better Future” Organized by Chemistry Department, Faculty of Mathematics and Natural Sciences, Universitas Jenderal Soedirman, Indonesia, September 9, 2021

Organized Workshop on Bioinformatics, Riphah International University, Islamabad, March 13-14, 2019.

Organized Workshop on Computational Chemistry: 1^st National Workshop on Computational Chemistry and Drug Designing, Department of Chemistry, U.S.T Bannu, KPK, December 19-20, 2018.

Organized Workshop on Bioinformatics, Riphah International University, Islamabad, November 15-16, 2017.

Organized Workshop on Computational Chemistry: A New Approach to Understanding & Solving Chemical Problems, Department of Chemistry, Forman Christian College, Lahore, Jan 20- 22, 2016.

Organized Workshop on Computational Chemistry and Drug Design at the International Bhurban Conference on Applied Sciences & Technology (IBCAST), National Centre for Physics (NCP), Islamabad, Jan 12-16, 2016.

Organized NASIC Conference Cum Workshop on Herbal Drug Development for Socio-Economic Uplift in Developing World, University of Jordan, Amman- Jordan, Sep 6-8, 2015.

Mini Workshop on 5^th International Symposium-Cum-Training Course on Molecular Medicine and Drug Research (MMDR-5) on Finding Lead Molecules through Computational Techniques, ICCBS, PCMD, University of Karachi, Karachi, Jan 12-15, 2015.

Organized 1^st International Workshop on Computer-Aided Drug Design, Department of Chemistry, University of Jordan, April 23-25, 2013.

Organized National Symposium on Computational Biology in Pakistan “Current Status and Future Challenges” COMSATS Institute of Information Technology, Islamabad, November 8-9, 2012.

Organized Workshop on Bioinformatics in Medicine, Institute of Basic Medical Sciences, Khyber Medical University, Peshawar, May 14-15, 2012.

Organized 13^th International Symposium on Natural Products Chemistry (ISNPC-13), held in Karachi, September 22 – 25, 2012.

Organized Sustainable and Collaborative Research Networks, ICCBS, Karachi under British Council, UK, December 3-4, 2010.

Organized “11^th International Symposium on Natural Product Chemistry” held in Karachi, October 29^th to November 1^st, 2008.

Organized “1^st International Workshop-cum-Training Course on Molecular Medicine and Drug Research” PCMD, Karachi, January 16 - 30, 2007.

Organized “National Workshop on Computational Chemistry and Its Applications”, Karachi, Pakistan, June 26-28, 2006.

Recent Presentations:

Ø Keynote Speaker 2^nd International Conference on Biological Research & Applied Sciences, Jinnah University for Women, Karachi, January 11-13, 2022, entitled. “The role of computational chemistry in drug discovery.”

Ø Participated and deliver Invited Lecture in “A Journey from Natural Product Chemistry to Computational Medicinal Chemistry, Invited lecture at the Inorganic Chemistry Laboratory, University of Oxford, Oxford, UK, Feb 10, 2010.

Ø Participated and deliver Invited Lecture in “1^st Junior National Chemistry Conference under the age of 35” Department of Chemistry, Muzaffarabad, from October 19-22, 2008.

Ø Participated and deliver presentation in “International Workshop on Biotechnology for Development” held in Kohat University of Science and Technology, Kohat, from March 4-5, 2008.

Ø Participated and deliver presentation in “The 18^th National Chemistry Conference” held in The Punjab University, Lahore from February 25-27, 2008.

Ø Zaheer-ul-Haq, Lead Discovery through Combination of Natural Product and Computational Chemistry. Invited lecture at the Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, Chicago, IL, March 26, 2007.

Ø Zaheer-ul-Haq, M. Arif Lodhi and M. Iqbal Choudhary, Insights into the metal chelating mechanism in urease inhibitors using molecular docking simulation and 3-D-QSAR analysis. Presented at the 233rd ACS National Meeting at Chicago, IL, March 25-29, 2007.

Ø Zaheer-ul-Haq, Lead Discovery through Combination of Natural Product and Computational Chemistry. Invited lecture at the Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, Chicago, IL, March 26, 2007.

Ø Zaheer-ul-Haq, A Computational Approach for Exploiting Bioactive Natural Products, Invited lecture at the Department of Chemistry and Biochemistry, Duquesne University, Pittsburgh, PA, March 16, 2007.

Ø Zaheer-ul-Haq, Metal Chelating Mechanism in Bis-coumerine Interaction Using Molecular Docking Simulation and Comparative Field Analysis. Presented at the 20th Darmstadt Molecular Modeling Workshop, Computer-Chemie-Centrum, Erlangen, Germany, May 23-24, 2006.

Ø Zaheer-ul-Haq, Computational Chemistry for Beginners. Invited lecture at the Department of Chemistry, Jinnah University for Women, Karachi, August 2, 2006.

Ø Participated and deliver presentation in “The 6^th International & 16^th National Chemistry Conference” held in Bahauddin Zakariya University, Multan from April 6-8, 2006

Ø Zaheer-ul-Haq, The Role of Computational Chemistry in the Process of Drug Discovery. Invited lecture at the Department of Chemistry, Quaid-e-Azam University, Islamabad, March 22, 2006.

Ø Participated and delivered lecture in “The 10^th International Symposium on Natural Product Chemistry, Karachi, Pakistan, January 06-09, 2006.

Ø Zaheer-ul-Haq, Structure-Based Drug Design using 3D-QSAR and Molecular Docking Techniques. Invited lecture at the Pharmaceutical Biosciences, Division of Pharmaceutical Pharmacology, Uppsala University, Uppsala, Sweden, June 14, 2005.

Ø Participated and delivered presentation in “The second international conference of pharmaceutical and drug industries division” National Research Centre (NRC), Cairo, Egypt, March 7-9, 2005.

Ø Participated and delivered presentation in “8th International Symposium on Protein Structure Function Relationship. Karachi, Pakistan, Jan. 7-10, 2005.

Ø Participated and deliver presentation in the 5^th International and 15^th National Chemistry Conference at Islamabad from 24^th to 27^th of Nov 2004

Ø Participated in the 9^th International Symposium on Natural Product Chemistry, Karachi, Pakistan, January 10-13, 2004.

Ø Participated in the 7^th Euroasia Conference on Chemical Sciences, Karachi, Pakistan, March 9-12, 2002.

Ø Participated in the 8^th International Symposium on Natural Product Chemistry, Karachi, Pakistan, Jan. 18-22, 2000.

Ø Participated in the 6^th International Symposium on Protein Structure-Function Relationship, Karachi, Pakistan, Feb. 5-7, 1999.

Ø Participated and presented lecture and poster in the 9^th National Chemistry Conference, Karachi, Pakistan, Dec. 4-6, 1998.

Ø Participated in the 7^th International Symposium on Natural Product Chemistry, Karachi, Pakistan, from Dec. 28, 1997 to Jan. 1, 1998.

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