Browsing by Author "Khan, Abbas"
Now showing items 1-10 of 10
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Abrogation of ORF8-IRF3 binding interface with Carbon nanotube derivatives to rescue the host immune system against SARS-CoV-2 by using molecular screening and simulation approaches.
( BMC , 2024 , Article)The COVID-19 pandemic, caused by the SARS-CoV-2 virus, has led to over six million deaths worldwide. In human immune system, the type 1 interferon (IFN) pathway plays a crucial role in fighting viral infections. However, ... -
Analysis of E2F1 single-nucleotide polymorphisms reveals deleterious non-synonymous substitutions that disrupt E2F1-RB protein interaction in cancer
( Elsevier , 2024 , Article)Cancer is a medical condition that is caused by the abnormal growth and division of cells, leading to the formation of tumors. The E2F1 and RB pathways are critical in regulating cell cycle, and their dysregulation can ... -
Exploring global natural product databases for NLRP3 inhibition: Unveiling novel combinatorial therapeutic strategy for hidradenitis suppurativa
( Elsevier , 2025 , Article)BackgroundHidradenitis suppurativa (HS) is a chronic inflammatory skin condition of the terminal hair follicle, which can present in sporadic, familial, or syndromic forms. The exact pathogenesis of HS remains elusive, ... -
Exploring the Dynamic Interplay of Deleterious Variants on the RAF1–RAP1A Binding in Cancer: Conformational Analysis, Binding Free Energy, and Essential Dynamics
( Wiley , 2024 , Article)The RAF1–RAP1A interaction activates the MAPK/ERK pathway which is very crucial in the carcinogenesis process. This protein complex influences tumor formation, proliferation, and metastasis. Understanding aberrant interactions ... -
Human antigen R: Exploring its inflammatory response impact and significance in cardiometabolic disorders
( Wiley , 2024 , Article Review)RNA-binding proteins (RBPs) play a crucial role in the regulation of posttranscriptional RNA networks, which can undergo dysregulation in many pathological conditions. Human antigen R (HuR) is a highly researched RBP that ... -
In silico design of multi-epitope vaccines against the hantaviruses by integrated structural vaccinology and molecular modeling approaches
( Public Library of Science , 2024 , Article)Hantaviruses are single-stranded RNA viruses belonging to the family Bunyaviridae that causes hantavirus cardiopulmonary syndrome (HCPS) and hemorrhagic fever with renal syndrome (HFRS) worldwide. Currently, there is no ... -
Investigating the role of functional mutations in leucine binding to Sestrin2 in aging and age-associated degenerative pathologies using structural and molecular simulation approaches
( Taylor & Francis , 2024 , Article)Leucine is the native known ligand of Sestrin2 (Sesn2) and its interaction with Sesn2 is particularly important, as it influences the activity of mTOR in aging and its associated pathologies. It is important to find out ... -
Molecular screening of phytocompounds targeting the interface between influenza A NS1 and TRIM25 to enhance host immune responses
( Elsevier , 2024 , Article)BackgroundInfluenza A virus causes severe respiratory illnesses, especially in developing nations where most child deaths under 5 occur due to lower respiratory tract infections. The RIG-I protein acts as a sensor for viral ... -
Network Pharmacology Integrated With Quantum-Polarized Ligand Docking and Molecular Simulation Revealed the Anti-Diabetic Potential of Curcumin
( Wiley , 2024 , Article)Diabetes mellitus is a chronic metabolic disorder affecting millions of people worldwide and causes serious complications such as diabetic nephropathy. Curcumin, a natural polyphenol derived from turmeric, has demonstrated ... -
Regioselective domino C–C/C–O arylation of 1,2,3-triiodobenzenes and 1,3-diketones: Synthesis and in silico evaluation of 7-iodobenzo[b]furan as potential ALK inhibitors
( Elsevier , 2025 , Article)We report a simple, direct, and regioselective protocol for the synthesis of 2,3-disubstituted 7-iodobenzo[b]furans via domino double CC/CO arylations of 1,2,3-triiodobenzene and 1,3-dicarbonyl compounds. Remarkably, the ...
