Dr. Uzma Mahmood

Dr. Uzma Mahmood

Chairperson,
Associate Professor

(021) 34988000 Ext: 261
https://linkedin.com/

Online Publications

Department (s)

Education

Ph.D.
Chemistry (Computational Chemistry And Bioinformatics)

M.Sc.
Inorganic Chemistry,

Awards & Honors
Biography

Dr. Uzma has 10 international research publications in computational chemistry/ Bioinformatics, Current research interests include 3D-QSAR ,molecular dynamics simulation of any systems of pharmaceutical and biological 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.

 

Publications
Publications
  1. Synthesis, biological evaluation, kinetics, and molecular docking studies of anthranilic acid derivatives as α-chymotrypsin inhibitors. (In process).
  2. Efficient and Knowledge-based Hierarchal Virtual Screening Applied to Identify Potential Inhibitors of Cholinesterase Enzyme. 2022 Molecular Informatics (Submitted)
  3. Rational In Silico Design, Synthesis and In Vivo Analgesic Evaluation of Novel 4-Amino Methyl Piperidine Derivatives against µ-Opioid Receptor. 2021 European Journal of Medicinal Chemistry (Submitted)
  4. In-vitro evaluation and in-silico studies applied on newly synthesized amide derivatives of N-phthaloylglycine as Butyrylcholinesterase (BChE) inhibitors Computational Biology and Chemistry 2018 74  212–217

 

  1. In-silico identification of the binding mode of synthesized adamantyl derivatives inside cholinesterase enzymes, Acta Pharmacologica Sinica,  2015, 36, 879-886
  2. Structure-based 3D-QSAR studies on quinazoline derivatives as platelets-derived growth factor (PDGFR) inhibitors, Medicinal Chemistry Research, 2014,   23, Issue 9, pp 4070-4084
  3. Molecular docking simulation studies on potent butyrylcholinesterase inhibitors obtained from microbial transformation of dihydrotestosterone, Chemistry Central Journal 2013, 7:164
  4. In-silico analysis of chromone containing sulfonamide derivatives as human carbonic anhydrase inhibitors, Medicinal Chemistry, Volume 9, Number 4, June 2013, pp. 608-616(9)
  5. A  Combined  3D-QSAR  and  Docking  Studies  for  the  In-silico  Prediction  of  HIV-Protease Inhibitor, Chemistry Central Journal 2013, 7:88
  6. A combined 3D-QSAR and molecular docking strategy to understand the binding mechanism of V600EB-RAF inhibitors, Mol Div 2012;16:771-785.
  7. 3D-QSPR study on the Red Recative dyes using CoMFA technique, Int. J. Mol. Sci. 2011, 12,8862-8877; doi:10.3390/ijms12128862
  8. Ligand Based 3D-QSAR Studies of Diaryl Acylsulfonamide Analogues as Human Umbilical Vein Endothelial Cells Inhibitors Stimulated by VEGF, Chem Biol Drug Des 2010; 77: 288-294.
  9. Ligand-based 3D-QSAR Studies of Physostigmine Analogues as Acetylcholinesterase Inhibitors, Chem Biol Drug Des 2009; 74: 571-581
Selected Professional Presentations

 

Ø  Oral     Presentation    “Ligand-based 3D-QSAR Studies            of Physostigmine
Analogues as Acetylcholinesterase Inhibitors” in the 11th Eurasia Conference on Chemical Sciences from 6th -11th Oct 2010 in Jordan.Ø  Oral  Presentation  “Application of  Molecular  Dynamics  Simulation in  Protein  Structure Prediction” organized by KIBGE Department from 1st – 5th  December 2010 in University of Karachi.Ø  Oral  Presentation  “Docking based  3D-QSAR  studies applied at the  B-RAF  inhibitors to understand the binding mechanism” organized by the Department of Chemistry and Biochemistry from 21st -23rd  November 2011 University of Agriculture. Faisalabad-Pakistan.Ø  Oral Presentation “In-Silico Based Binding Mode Identification Of Newly Identified Compounds Against Cholinesterase Enzyme” in 25th National and 13th International Chemistry Conference Lahore  20th -23rd  October 2014.Ø  Oral  Presentation  “Molecular docking studies applied to explore binding mode identification of newly isolated compounds against Cholinesterase Enzyme” in 3rd  International Conference on Environmental Horizon; organized by the department of Chemistry and ICCBS from 9th to 11th  January 2015 University of Karachi

POSTER PRESENTATIONS:

Ø  “Structure Based Drug Design and Molecular Modelling: A New Perspective in Drug Design and Discovery”, “10th International Symposium on Natural Product Chemistry (ISNPC-10)”, Jointly organized by the Pakistan Academy of Sciences, HEJ Research Institute of Chemistry and Dr. Panjwani Centre for Molecular Medicine and Drug Research (International Centre for Chemical Sciences, University of Karachi) January 6-9, 2006, Karachi, Pakistan.

Ø  “Homology Modeling using Molecular Dynamics Simulation & Molecular Docking Studies of Human  Butyrylcholinesterase”, “11th International Symposium on Natural Product Chemistry (ISNPC-11)”, Jointly organized by the Pakistan Academy of Sciences, HEJ Research Institute of Chemistry and Dr.  Panjwani Centre for Molecular Medicine and Drug Research (International Centre for  Chemical  Sciences,  University of  Karachi)  November  29-2nd  December  2006, Karachi, Pakistan.

Ø  “Structural and  Molecular  Modelling  Studies of  Butyrylcholinesterase”,  “1st  International Symposium and Workshop–cum-training Course on Molecular Medicine and Drug Research”, organized by Dr. Panjwani Centre for Molecular Medicine and Drug Research (International Centre for  Chemical and  Biological  Sciences,  University of  Karachi)  January16-30,  2007, Karachi, Pakistan.

Ø  “Ligand-based   3D-QSAR   Studies of   Physostigmine   Analogues as   Acetylcholinesterase Inhibitors”  “8th  International and  20th  National  Chemistry  Conference”  Organized by  The Chemical  Society of Pakistan Department of Chemistry, Quaid-i-Azam University, Islamabad February 15-17, 2010 Pakistan.

Ø  “Ligand  Based  3D-QSAR:  Indirect  Approach to  Understand the binding Mechanism”  “12th International Symposium on Natural Product Chemistry (ISNPC-12)”, Jointly organized by the Pakistan Academy of Sciences, HEJ Research Institute of Chemistry and Dr. Panjwani Centre for Molecular Medicine and Drug Research (International Centre for Chemical Sciences, University of Karachi) November 22nd – 25th  2010, Karachi, Pakistan.

Ø  “Docking based  3D-QSAR  studies applied at the  B-RAF  inhibitors to understand the binding mechanism” 3rd Chemistry Conference 2011 on Recent trends in Chemistry Organized by Chemistry Division PINSTECH in collaboration with Directorate of Nuclear Fuel Cycle and National  Centre for  Physics,  Islamabad from  17th -19th October  2011  Islamabad-Pakistan. (Second Award winning poster)

 

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