Pharmaceutical Sciences and Natural Products - Master Dissertation

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Browsing Pharmaceutical Sciences and Natural Products - Master Dissertation by Author "Kumar,Pradeep"

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    Synthesis and in silico studies of pyrazoline containing quinoline derivatives as anti-HIV agents
    (Central University of Punjab, 2018) Choudhary, Diksha; Kumar,Pradeep
    Quinoline moiety is an important scaffold in the field of drug discovery and drug development with wide range of pharmacological activities. Its derivatives are potent inhibitors for reverse transcriptase which is responsible for the conversion of single strand viral RNA into double strand viral DNA. In the present study, we have designed and synthesized Pyrazoline containing quinoline derivatives as anti-HIV agents. Six compounds were synthesized and characterized by 1H and 13C NMR and Mass spectrophotometry. The synthesized compounds were also docked on HIV binding site (PDB: 4I2P) and most of these showed good binding interactions with the active domain of the receptor. Our synthesized compounds DC1 and DC6 showed better binding interactions as compared to standard inhibitor Elvitegravir.
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    Synthesis and In Silico Studies Of Quinazolinone Derivatives As PARP-1 INHIBITORS
    (Central University of Punjab, 2018) Verma, Sonia; Kumar,Pradeep
    Cancer is one of the leading diseases responsible for high mortality rates worldwide. It develops when normal cells begin to grow out of control in particular part of the body. Cancer is a leading cause of death worldwide, accounting for 8.8 million deaths in 2015. According to WHO, the most common causes of cancer death are cancers of Lung (1.69 million deaths), Liver (788 000 deaths), Colorectal (774 000 deaths), Stomach (754 000 deaths) and Breast (571 000 deaths). PARP-1 is a ubiquitous zincfinger DNA-binding enzyme that is activated by binding to DNA breaks and then catalyzes the synthesis of the branched polymer PAR using NAD+ as the building block. PARP-1 has a crucial role in cell proliferation, survival, and death, due to its properties on regulation of multiple biological processes. Quinazolinone and its derivatives possess a large class of biologically active compounds that exhibited broad spectrum of biological activities such as anti-HIV, anticancer, antifungal, antibacterial, anticonvulsant, anti-inflammatory, antidepressant, antimalarial, antioxidant, antileukemic, and antileishmanial activities and other activities. In this study, we have synthesized quinazolinone derivatives and studied the in silico properties as PARP-1 inhibitors which indicated that quinazolinone derivatives were having good affinity towards active site of PARP-1. Out of all synthesized compounds, SVA-11 was having maximum dock score (-10.421).