Life in Silico https://life-insilico.com/index.php/pub <p>Life in Silico (e-ISSN: 2980-4027) is a double peer-reviewed (anonymous reviewer/anonymous author) <strong>open access</strong> journal for original research articles, review articles and short communications related to all aspects of in silico studies in the fields of <strong>structural biology</strong> and <strong>biological chemistry</strong>. Life in Silico was launched in October 2022, and will be published annually.</p> <p>Submission would be encouraged on in silico analyzes of the biological phenomena. The aim of this journal is to become a highly respected and trusted resource of leading knowledge in high-end computational sciences with an emphasis on structural and chemical biology as well as to promote worldwide academic knowledge exchange.<br /><br />Electronic versions of articles are published immediately and continuously once the manuscripts have been accepted.</p> <p><strong>Below are the files you will need during the submission. Please do not use any other type of file.</strong></p> <p><strong><u>Required files for submission:</u></strong></p> <ul> <li><a href="https://life-insilico.com/index.php/pub/libraryFiles/downloadPublic/1" target="_blank" rel="noopener">Title page template</a></li> <li><a href="https://life-insilico.com/index.php/pub/libraryFiles/downloadPublic/2" target="_blank" rel="noopener">Manuscript template</a></li> <li><a href="https://life-insilico.com/index.php/pub/libraryFiles/downloadPublic/5" target="_blank" rel="noopener">Conflict of interest</a></li> <li><a href="https://life-insilico.com/index.php/pub/libraryFiles/downloadPublic/3" target="_blank" rel="noopener">Response to reviewers</a></li> <li><a href="https://life-insilico.com/index.php/pub/libraryFiles/downloadPublic/4" target="_blank" rel="noopener">Life in Silico EndNote style</a></li> </ul> <p><strong>Please note:</strong> During revision, the primary author is kindly requested to avoid changes in the order and number of authors.</p> <p><strong>Important note for the authors</strong><br /><strong>Life in Silico</strong> is highly selective in determining the articles to be published in terms of both scientific and linguistic quality. Therefore, prospective authors intend to submit articles to <strong>Life in Silico</strong> should ensure that their articles are checked by a native speaker prior to submission. Articles that fail to pass the language quality criteria will not be considered to enter the referee evaluation process.</p> Erman Salih ISTIFLI en-US Life in Silico 2980-4027 Detailed quantum chemical, ADMET, reactivity, and molecular docking interaction analysis of potential phytochemicals from Asparagus racemosus targeting HIV enzyme/DNA receptors https://life-insilico.com/index.php/pub/article/view/10 <p>Acquired immune deficiency syndrome is a life-threatening disease that is still uncured and takes the lives of thousands of people every year. Along with medical aids, herbal extracts, and natural products have parallel importance in inhibiting diseases. The present study aims to discover the potential phytochemicals of <em>Asparagus racemosus</em> that can inhibit HIV-AIDS. Ten different proteins of HIV-AIDS were considered and target macromolecules were prepared from these protein structures. A multi-stage in silico study was performed for fifteen phytochemicals of the target plant to check which phytochemical has the best inhibiting activity against the HIV-AIDS proteins. The chemical reactivity was analyzed by the reactivity parameters. All the physiochemical, drug-like, and ADMET properties of the phytochemicals were monitored. The analysis reveals that diosgenin and sarsasapogenin have the best drug-like nature among the other phytochemicals. Further, the post-docking analysis reveals that diosgenin exhibited a remarkable binding profile with all the target macromolecules of HIV-AIDS. In conclusion, the present study clarifies the potential character of diosgenin and sarsasapogenin as an inhibitor of the AIDS virus and chemical testing can be executed with the computational findings based on the proposed study.</p> Meenakshi Rana Shradha Lakhera Kamal Devlal Copyright (c) 2024 Life in Silico https://creativecommons.org/licenses/by/4.0 2023-12-28 2023-12-28 2 1 1 16