A5065093228- Synthesis and biological activity
- Computational Drug Discovery Methods
- Cholinesterase and Neurodegenerative Diseases
- Enzyme Production and Characterization
- Crystallization and Solubility Studies
- Natural Antidiabetic Agents Studies
- Carbohydrate Chemistry and Synthesis
- X-ray Diffraction in Crystallography
- Synthesis of Organic Compounds
- Bioactive Compounds and Antitumor Agents
- Multicomponent Synthesis of Heterocycles
- Cancer therapeutics and mechanisms
- HER2/EGFR in Cancer Research
- Enzyme Catalysis and Immobilization
- Click Chemistry and Applications
- Fluorine in Organic Chemistry
- Asymmetric Synthesis and Catalysis
- Psidium guajava Extracts and Applications
- Synthesis and Reactions of Organic Compounds
- Chemical synthesis and alkaloids
- Synthesis and Characterization of Heterocyclic Compounds
- Biochemical and Molecular Research
- Free Radicals and Antioxidants
- Synthesis of Indole Derivatives
Abbottabad University of Science and Technology
2020-2025
COMSATS University Islamabad
2017-2025
Information Technology University
2017-2019
Hazara University
2015-2016
EGFR is critical for tumor angiogenesis and cancer progression, but existing treatments like erlotinib face limitations such as acquired resistance side effects. To address these issues, this study employs structure-based drug design techniques including virtual screening, molecular docking, dynamics simulations to identify new small molecule inhibitors targeting the kinase domain. From an initial selection of 633,000 compounds from diverse databases, top candidates were identified based on...
Chromen-4-one substituted oxadiazole analogs 1–19 have been synthesized, characterized and evaluated for β-glucuronidase inhibition. All exhibited a variable degree of inhibitory activity with IC50 values ranging in between 0.8 ± 0.1–42.3 μM when compared the standard d-saccharic acid 1,4 lactone (IC50 = 48.1 1.2 μM). Structure relationship has established all compounds. Molecular docking studies were performed to predict binding interaction compounds active site enzyme.
meta-Aminophenols are formed by the action of DBU on 3-amino-2-chlorocyclohex-2-en-1-ones at room temperature in MeCN. The chloro compounds generated treating 3-aminocyclohex-2-en-1-ones with easily prepared halogenating agent BnNMe3·ICl2 MeOH-CH2Cl2. amino group must carry two substituents, either aryl, one aryl and alkyl, or alkyl groups; this type readily made from cyclohex-2-en-1-one a primary secondary amine.