Drug research is a multidisciplinary as well as resource intensive endeavor. In this the center of attention is biological response of an agent which gives the first insight of the activity (or receptor) space in the backdrop of chemical landscape. Here, molecular topology has significant role in explaining and exploring different phenomena associated with the chemical entities. Thus it provides direction to the design of therapeutic agents. In the backdrop the review highlighted the contribution of topological indices from different concepts in the HIV-1 drug research. In this article selected reports dealing with the topological descriptors in the QSARs of the anti-HIV-1 compounds acting as reverse transcriptase, protease and integrase inhibitors are appraised and elaborated.
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High-order network degree revealed shared and distinct features among schizophrenia, bipolar disorder and ADHD.
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Schizophrenia (SCHZ), bipolar disorder (BD), and attention-deficit/hyperactivity disorder (ADHD) share clinical symptoms and risk genes, but the shared and distinct neural dynamic mechanisms remain inadequately understood. Degree is a fundamental and important graph measure in network neuroscience, and we here extended the degree to hierarchical levels based on eigenmodes and compared the resting-state brain networks of three disorders and healthy controls (HC). First, compared to HC, SCHZ and BD patients exhibited substantially overlapped abnormalities in brain networks, wherein BD patients displayed more significant alterations.
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