Innovare Journal of Medical Sciences https://journals.innovareacademics.in/index.php/ijms <p>Innovare Journal of Medical Sciences had started in April 2013 is a peer-reviewed, bimonthly (Onward April 2016), open access Journal. The Journal publishes original research in Medical Sciences and its scope includes work that relate with <strong>Medicine, dentistry, nursing and allied health sciences, pharmacy, pathology, anatomy, physiology, pharmacology, toxicology, surgery and physiology, Orthopedics or Bones Nutrition, Ophthalmology, Wounds &amp; injuries, Infectious diseases, Global health, Anesthesia, Analgesia and pain, Cardiovascular diseases</strong>. The Journal publishes original research work either as an Original article or as a Short Communication. Case studies/reports, Review Articles are also considered for publication in the field of Medical Sciences.</p> <p><strong>Abstracting and Indexing-&nbsp;</strong>OAI, <a href="http://scholar.cnki.net/webpress/brief.aspx?dbcode=SJQA" target="_blank" rel="noopener">CNKI (China Knowledege Resource Integrated Database)</a>, LOCKKS, Open J-Gate, Google Scholar, OCLC (World Digital Collection Gateway), UIUC</p> Innovare Academic Sciences Pvt Ltd en-US Innovare Journal of Medical Sciences 2321-4406 IN SILICO AND MOLECULAR DOCKING STUDIES: AIMING AMYLOID PRECURSOR-LIKE PROTEIN 2 USING ACTIVE PHYTOCHEMICALS FROM WITHANIA SOMINIFERA https://journals.innovareacademics.in/index.php/ijms/article/view/49626 <p><strong>Objectives: </strong>Due to effective healing properties found in natural chemical compounds obtained from medicinal plants that are employed in curing several diseases. This study aims to exhibit the role of Indian ayurvedic plant <em>Withania sominifera </em>in the management of the Alzheimer’s disease utilizing the molecular docking, drug likeness and ADME analysis.</p> <p><strong>Methods: </strong>Alzheimer’s main protein was collected from the PDB database. Molecular docking is achieved using PyRx tool with removal of the ligands possessing improper binding showing significant effect on docking. Drug likeness and ADME analysis were evaluated using Swiss-ADME web server and ADMETlab 2.0 web tool. Ramachandran plot analysis for the target protein was achieved using SWISS-MODEL web-server.</p> <p><strong>Results: </strong>In the protein structure, the distribution of torsion angles ϕ and ψ in a protein is visible.&nbsp; On the basis binding&nbsp;affinity&nbsp;ADME analysis, 27-Deoxywithaferin A is a safe medication and one of the most effective inhibitors of the amyloid precursor protein. It also has drug-like qualities.</p> <p><strong>Conclusion: </strong>According to the current research, 27-Deoxywithaferin A has a high affinity for binding, which makes it possible to suppress the major amyloid precursor protein while also managing therapeutic approaches for treating Alzheimer's disease.</p> SAMEER SHARMA Copyright (c) 2023 SAMEER SHARMA http://creativecommons.org/licenses/by/4.0 2023-11-23 2023-11-23 1 8 10.22159/ijms.2023.v11i6.49626