Dr. Faez Iqbal Khan
Rhodes University
Lecturer, Biological Sciences
South Africa
My co-authors include
Dr. Athanasios Alexiou
Dr Ghulam Md Ashraf
Anam Beg
Find me at
My Publications
High-resolution MD simulation studies to get mechanistic insights into the urea-induced...
Current Topics in Medicinal Chemistry
November 2021
In silico prediction of natural compounds as potential multi-target inhibitors of struc...
Journal of Biomolecular Structure and Dynamics
September 2021
Remdesivir Strongly Binds to RNA-Dependent RNA Polymerase, Membrane Protein, and Main P...
Frontiers in Pharmacology
July 2021
Impact of amino acid substitutions on the behavior of a photoactivatable near infrared ...
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
May 2021
Pyrazoline analogs as potential anticancer agents and their apoptosis, molecular dockin...
Bioorganic Chemistry
March 2021
Mechanistic insights into the urea-induced denaturation of human sphingosine kinase 1
International Journal of Biological Macromolecules
October 2020
Mechanistic insights into the urea-induced denaturation of a non-seleno thiol specific ...
International Journal of Biological Macromolecules
October 2020
Comparative Analysis of Bacteriophytochrome Agp2 and Its Engineered Photoactivatable NI...
Biomolecules
September 2020
Green Synthesis, Experimental and Theoretical Studies to Discover Novel Binders of Exos...
ACS Omega
July 2020
Mechanism of pH-induced conformational changes in MurE ligase obtained from Salmonella ...
Journal of Biomolecular Structure and Dynamics
March 2020
Effects of reverse genetic mutations on the spectral and photochemical behavior of a ph...
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
March 2020
Investigation of guanidinium chloride-induced unfolding pathway of sphingosine kinase 1
International Journal of Biological Macromolecules
March 2020
A Thermolabile Phospholipase B from Talaromyces marneffei GD-0079: Biochemical Characte...
Biomolecules
February 2020
Human serum albumin interaction, in silico and anticancer evaluation of Pine-Gold nanop...
Process Biochemistry
February 2020
Functional implications of pH-induced conformational changes in the Sphingosine kinase 1
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
January 2020
Identifying novel sphingosine kinase 1 inhibitors as therapeutics against breast cancer
Journal of Enzyme Inhibition and Medicinal Chemistry
November 2019
An In Vitro elucidation of the antiaggregatory potential of Diosminover thermally induc...
International Journal of Biological Macromolecules
May 2019
In silico studies and evaluation of antiparasitic role of a novel pyruvate phosphate di...
International Journal of Antimicrobial Agents
April 2019
Identification and Evaluation of Inhibitors of Lipase from Malassezia restricta using V...
International Journal of Molecular Sciences
February 2019
Elucidation of interaction mechanism of ellagic acid to the integrin linked kinase
International Journal of Biological Macromolecules
February 2019
Prognosis of Sleep Bruxism Using Power Spectral Density Approach Applied on EEG Signal ...
IEEE Access
January 2019
Sleep Bruxism Detection Using Decision Tree Method by the Combination of C4-P4 and C4-A...
IEEE Access
January 2019
Binding mechanism of caffeic acid and simvastatin to the integrin linked kinase for the...
Journal of Biomolecular Structure and Dynamics
November 2018
Seed Extract of Psoralea corylifolia and Its Constituent Bakuchiol Impairs AHL-Based Qu...
Frontiers in Cellular and Infection Microbiology
October 2018
Unravelling the unfolding mechanism of human integrin linked kinase by GdmCl-induced de...
International Journal of Biological Macromolecules
October 2018
Open and closed states of Mrlip1 DAG lipase revealed by molecular dynamics simulation
Molecular Simulation
September 2018
High throughput screening, docking and molecular dynamics studies to identify potential...
Journal of Biomolecular Structure and Dynamics
July 2018
Mitochondrial Dynamics and Proteins Related to Neurodegenerative Diseases
Current Protein and Peptide Science
July 2018
Fate of T Cells and their Secretory Proteins During the Progression of Leprosy
Current Protein and Peptide Science
July 2018
Chloroacetaldehyde dehydrogenase from Ancylobacter aquaticus UV5: Cloning, expression, ...
International Journal of Biological Macromolecules
July 2018
Identification and evaluation of bioactive natural products as potential inhibitors of ...
Journal of Biomolecular Structure and Dynamics
May 2018
Mechanistic insights into the urea-induced denaturation of kinase domain of human integ...
International Journal of Biological Macromolecules
May 2018
Exploring molecular insights into the interaction mechanism of cholesterol derivatives ...
International Journal of Biological Macromolecules
May 2018
Recent Studies of Mitochondrial SLC25: Integration of Experimental and Computational Ap...
Current Protein and Peptide Science
March 2018
Investigation of molecular mechanism of recognition between citral and MARK4: A newer t...
International Journal of Biological Macromolecules
February 2018
Crystal structure of a lipase from Streptomyces sp. strain W007 - implications for the...
FEBS Journal
October 2017
Malassezia globosa Mg MDL2 lipase: Crystal structure and rational modification of subst...
Biochemical and Biophysical Research Communications
June 2017
QSAR based therapeutic management of M. tuberculosis
Archives of Pharmacal Research
April 2017
Implications of molecular diversity of chitin and its derivatives
Applied Microbiology and Biotechnology
March 2017
The Lid Domain in Lipases: Structural and Functional Determinant of Enzymatic Properties
Frontiers in Bioengineering and Biotechnology
March 2017
Substrate selectivity and optimization of immobilized SMG1‐F278N lipase in synthesis of...
European Journal of Lipid Science and Technology
February 2017
A comparative study on kinetics and substrate specificities of Phospholipase A 1 with ...
Journal of Colloid and Interface Science
February 2017
A functional natural deep eutectic solvent based on trehalose: Structural and physicoch...
Food Chemistry
February 2017
Diacylglycerol production by genetically modified lipase from Malassezia globosa
Journal of Molecular Catalysis B Enzymatic
November 2016
Profiling substrate specificity of Lecitase Ultra to different kinds of phospholipids u...
European Journal of Lipid Science and Technology
October 2016
Site-directed mutagenesis studies of hydrophobic residues in the lid region of T1 lipase
European Journal of Lipid Science and Technology
October 2016
Molecular dynamics simulation of chitinase I from Thermomyces lanuginosus SSBP to ensur...
Molecular Simulation
September 2016
Structure prediction and functional analyses of a thermostable lipase obtained from She...
Journal of Biomolecular Structure and Dynamics
July 2016
Improving phospholipase activity of PLA 1 by protein engineerin...
European Journal of Lipid Science and Technology
June 2016
Probing pH sensitivity of αC-phycoerythrin and its natural truncant: A comparative study
International Journal of Biological Macromolecules
May 2016
A pH based molecular dynamics simulations of chitinase II isolated from Thermomyces lan...
Cogent Biology
April 2016
Molecular mechanism of Ras-related protein Rab-5A and effect of mutations in the cataly...
Journal of Biomolecular Structure and Dynamics
April 2016
Current updates on computer aided protein modeling and designing
International Journal of Biological Macromolecules
April 2016
Sequence Analysis of Hypothetical Proteins fromHelicobacter pylori26695 to Identify Pot...
Genomics & Informatics
January 2016
Large scale analysis of the mutational landscape in β-glucuronidase: A major player of ...
Gene
January 2016
Pressure induced superconductivity and electronic structure properties of scandium hydr...
RSC Advances
January 2016
Cloning, expression, and molecular dynamics simulations of a xylosidase obtained fromTh...
Journal of Biomolecular Structure and Dynamics
October 2015
Chitinase from Thermomyces lanuginosus SSBP and its biotechnological applications
Extremophiles
October 2015
From Pancreatic to Non-Pancreatic Insulin: A Miraculous Journey
International Journal of Biological Chemistry
June 2015
Thermostable chitinase II from Thermomyces lanuginosus SSBP: Cloning, structure predict...
Journal of Theoretical Biology
June 2015
Creation of thermostable and alkaline stable xylanase variants by DNA shuffling
Journal of Biotechnology
October 2014
Role of N-terminal residues on folding and stability of C-phycoerythrin: simulation and...
Journal of Biomolecular Structure and Dynamics
November 2013
