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Frontiers in Chemistry|March 18, 2021
Evaluation of Annona muricata Acetogenins as Potential Anti-SARS-CoV-2 Agents Through Computational ApproachesShashanka K Prasad, Sushma Pradeep, Chandan Shimavallu, et al.
Molecules (Basel, Switzerland)|February 25, 2022
N-((1H-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial Evaluation, In Silico Analysis and Computational and Theoretical Chemistry InvestigationsVinusha H Mariwamy, Shiva Prasad Kollur, Bindya Shivananda, et al.
Journal of Biomolecular Structure & Dynamics|December 28, 2022
Molecular insights into the in silico discovery of corilagin from Terminalia chebula as a potential dual inhibitor of SARS-CoV-2 structural proteinsSushma Pradeep, Shashank M Patil, Chandan Dharmashekara, et al.
Molecules (Basel, Switzerland)|December 19, 2020
Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3H)-Quinazolinone-Derived Schiff BaseUbale Panchsheela Ashok, Shiva Prasad Kollur, Nishad Anil, et al.
Frontiers in Chemistry|October 25, 2021
Synthesis, Computational Pharmacokinetics Report, Conceptual DFT-Based Calculations and Anti-Acetylcholinesterase Activity of Hydroxyapatite Nanoparticles Derived From Acorus Calamus Plant ExtractSushma Pradeep, Anisha S Jain, Chandan Dharmashekara, et al.
Plos One|October 6, 2022
Phytoconstituents of Withania somnifera unveiled Ashwagandhanolide as a potential drug targeting breast cancer: Investigations through computational, molecular docking and conceptual DFT studiesHittanahallikoppal Gajendramurthy Gowtham, Mahadevamurthy Murali, Sudarshana Brijesh Singh, et al.
Molecules (Basel, Switzerland)|November 27, 2021
Virtual Screening for Potential Phytobioactives as Therapeutic Leads to Inhibit NQO1 for Selective Anticancer TherapyBhargav Shreevatsa, Chandan Dharmashekara, Vikas Halasumane Swamy, et al.
Scientific Reports|December 27, 2022
Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug targetSatish Anandan, Hittanahallikoppal Gajendramurthy Gowtham, C S Shivakumara, et al.
Molecules (Basel, Switzerland)|October 14, 2022
In Vitro Anticancer Screening, Molecular Docking and Antimicrobial Studies of Triazole-Based Nickel(II) Metal ComplexesSachin A Deodware, Umesh B Barache, Pratibha C Dhale, et al.
Molecules (Basel, Switzerland)|December 11, 2022
Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT StudiesMahadevamurthy Murali, Hittanahallikoppal Gajendramurthy Gowtham, Natarajamurthy Shilpa, et al.
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