The lid domain in lipases: Structural and functional determinant of enzymatic properties

FI Khan, D Lan, R Durrani, W Huan, Z Zhao… - … in bioengineering and …, 2017‏ - frontiersin.org
Lipases are important industrial enzymes. Most of the lipases operate at lipid–water
interfaces enabled by a mobile lid domain located over the active site. Lid protects the active …

Current updates on computer aided protein modeling and designing

FI Khan, DQ Wei, KR Gu, MI Hassan… - International journal of …, 2016‏ - Elsevier
Determination of the three dimensional (3D) structure of a protein can provide important
details about its biological functions and mechanism of action. However, despite their …

A functional natural deep eutectic solvent based on trehalose: Structural and physicochemical properties

R **n, S Qi, C Zeng, FI Khan, B Yang, Y Wang - Food chemistry, 2017‏ - Elsevier
In this study, the natural deep eutectic solvents (NADESs) based on trehalose and choline
chloride have been prepared to enhance the protein thermostability. The results of fourier …

Remdesivir strongly binds to RNA-dependent RNA polymerase, membrane protein, and main protease of SARS-CoV-2: indication from molecular modeling and …

FI Khan, T Kang, H Ali, D Lai - Frontiers in pharmacology, 2021‏ - frontiersin.org
Development of new drugs is a time-taking and expensive process. Comprehensive efforts
are being made globally toward the search of therapeutics against SARS-CoV-2. Several …

Investigation of molecular interactions mechanism of pembrolizumab and PD-1

S Wang, FI Khan - International Journal of Molecular Sciences, 2023‏ - mdpi.com
Human programmed cell death protein 1 (PD-1) is a checkpoint protein involved in the
regulation of immune response. Antibodies are widely used as inhibitors that block the …

Identifying novel sphingosine kinase 1 inhibitors as therapeutics against breast cancer

FI Khan, D Lai, R Anwer, I Azim… - Journal of Enzyme …, 2020‏ - Taylor & Francis
Abstract Sphingosine kinase 1 (SphK1) is a promising therapeutic target against several
diseases including mammary cancer. The aim of present work is to identify a potent lead …

Large scale analysis of the mutational landscape in β-glucuronidase: a major player of mucopolysaccharidosis type VII

FI Khan, M Shahbaaz, K Bisetty, A Waheed, WS Sly… - Gene, 2016‏ - Elsevier
The lysosomal storage disorders are a group of 50 unique inherited diseases characterized
by unseemly lipid storage in lysosomes. These malfunctions arise due to genetic mutations …

Implications of molecular diversity of chitin and its derivatives

FI Khan, S Rahman, A Queen, S Ahamad, S Ali… - Applied microbiology …, 2017‏ - Springer
Chitin is a long unbranched polysaccharide, made up of β-1, 4-linked N-acetylglucosamine
which forms crystalline fiber-like structure. It is present in the fungal cell walls, insect and …

Functional implications of pH-induced conformational changes in the Sphingosine kinase 1

P Gupta, FI Khan, S Roy, S Anwar, R Dahiya… - … Acta Part A: Molecular …, 2020‏ - Elsevier
Abstract Sphingosine kinase 1 (SphK1) catalyzes the conversion of sphingosine to
sphingosine-1-phosphate that acts as a bioactive signalling molecule, and regulates various …

In Silico Studies on Psilocybin Drug Derivatives Against SARS-CoV-2 and Cytokine Storm of Human Interleukin-6 Receptor

FI Khan, F Hassan, D Lai - Frontiers in Immunology, 2022‏ - frontiersin.org
Various metabolites identified with therapeutic mushrooms have been found from different
sources and are known to have antibacterial, antiviral, and anticancer properties. Over …