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Hylemariam Mihiretie Mengist, Zunera Khalid & Fentahun Adane. (2023) In silico Screening of Potential SARS-CoV-2 Main Protease Inhibitors from Thymus schimperi. Advances and Applications in Bioinformatics and Chemistry 16, pages 1-13.
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Harpreet Kaur, Manmohit Kalia, Vikram Singh & Neelam Taneja. (2023) Identification of novel inhibitors against Escherichia coli utilizing HisC as a target from histidine biosynthesis pathway. Journal of Biomolecular Structure and Dynamics 41:19, pages 9907-9914.
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Sayali Doiphode, Kiran Bharat Lokhande, Payel Ghosh, K. V. Swamy & Shuchi Nagar. (2023) Dual inhibition of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) by resveratrol derivatives in cancer therapy: in silico approach. Journal of Biomolecular Structure and Dynamics 41:17, pages 8571-8586.
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Anu Dalal, Tushar Kushwaha, Gourav Choudhir, Krishna K. Inampudi, Tarak Karmakar, P. Hariprasad & Shivajirao L. Gholap. (2023) Computational investigations on the potential role of hygrophorones as quorum sensing inhibitors against LasR protein of Pseudomonas aeruginosa. Journal of Biomolecular Structure and Dynamics 41:6, pages 2249-2259.
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Kiran Bharat Lokhande, Sarika Vishnu Pawar, Smriti Madkaiker, Ashish Shrivastava, Swamy K. Venkateswara, Neelu Nawani, Minal Wani, Payel Ghosh & Ashutosh Singh. (2023) Screening of potential phytomolecules against MurG as drug target in nosocomial pathogen Pseudomonas aeruginosa: perceptions from computational campaign. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Maheswata Moharana, Subrat Kumar Pattanayak & Fahmida Khan. (2023) Molecular recognition of bio-active triterpenoids from Swertia chirayita towards hepatitis Delta antigen: a mechanism through docking, dynamics simulation, Gibbs free energy landscape. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Aristote Matondo, Washington Dendera, Bienfait Kabuyaya Isamura, Koto-te-Nyiwa Ngbolua, Hilaire VS Mambo, Mayaliwa Muzomwe & Virima Mudogo. (2022) In silico Drug Repurposing of Anticancer Drug 5-FU and Analogues Against SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics Simulation, Pharmacokinetics and Chemical Reactivity Studies. Advances and Applications in Bioinformatics and Chemistry 15, pages 59-77.
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Abdolamir Ghadaksaz, Abbas Ali Imani Fooladi, Hamideh Mahmoodzadeh Hosseini, Taher Nejad Satari & Mohsen Amin. (2022) Targeting the EGFR in cancer cells by fusion protein consisting of arazyme and third loop of TGF-alpha: an in silico study. Journal of Biomolecular Structure and Dynamics 40:22, pages 11744-11757.
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Kateryna V. Miroshnychenko & Anna V. Shestopalova. (2022) Combined use of the hepatitis C drugs and amentoflavone could interfere with binding of the spike glycoprotein of SARS-CoV-2 to ACE2: the results of a molecular simulation study. Journal of Biomolecular Structure and Dynamics 40:19, pages 8672-8686.
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Kiran Bharat Lokhande, Girish R. Apte, Ashish Shrivastava, Ashutosh Singh, Jayanta K. Pal & Rajesh Kumar Gupta. (2022) Sensing the interactions between carbohydrate-binding agents and N-linked glycans of SARS-CoV-2 spike glycoprotein using molecular docking and simulation studies. Journal of Biomolecular Structure and Dynamics 40:9, pages 3880-3898.
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Articles from other publishers (8)
Pravin J. Wanjari, Asutosh Rath, Rohit Y. Sathe & Prasad V. Bharatam. (2023) Identification of CYP3A4 inhibitors as potential anti-cancer agents using pharmacoinformatics approach. Journal of Molecular Modeling 29:5.
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Hong Li, Akari Komori, Mingdi Li, Xiaomei Chen, Angela Wei Hong Yang, Xiaomin Sun, Yanyan Liu, Andrew Hung, Xiaoshan Zhao & Lin Zhou. (2023) Multi-ligand molecular docking, simulation, free energy calculations and wavelet analysis of the synergistic effects between natural compounds baicalein and cubebin for the inhibition of the main protease of SARS-CoV-2. Journal of Molecular Liquids 374, pages 121253.
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Sagar Nagare, Kiran Bharat Lokhande & K. Venkateswara Swamy. (2023) Molecular Docking and Simulation Studies of Flavanone and its Derived
Compounds on PI3K-AKT Pathway Targeting against Cancer. Current Drug Discovery Technologies 20:1.
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Andrés Portilla-Martínez, Miguel Ortiz-Flores, Isabel Hidalgo, Cristian Gonzalez-Ruiz, Eduardo Meaney, Guillermo Ceballos & Nayelli Nájera. (2022) In silico evaluation of flavonoids as potential inhibitors of SARS-CoV-2 main nonstructural proteins (Nsps)—amentoflavone as a multitarget candidate. Journal of Molecular Modeling 28:12.
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Taha Vahabzadeh, Mansour Miran & Nima Razzaghi-Asl. (2022) Molecular Dynamics Simulation of Privileged Biflavonoids as SARS-CoV2 3CLpro Targeting Agents. Journal of Computational Biophysics and Chemistry 21:05, pages 569-582.
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Xifeng Xiong, Nan Tang, Xudong Lai, Jinli Zhang, Weilun Wen, Xiaojian Li, Aiguo Li, Yanhua Wu & Zhihe Liu. (2021) Insights Into Amentoflavone: A Natural Multifunctional Biflavonoid. Frontiers in Pharmacology 12.
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Von Novi O. de Leon, Joe Anthony H. Manzano, Delfin Yñigo H. PilapilIVIV, Rey Arturo T. Fernandez, James Kyle Anthony R. Ching, Mark Tristan J. Quimque, Jay Carl M. Agbay, Kin Israel R. Notarte & Allan Patrick G. Macabeo. (2021) Anti-HIV reverse transcriptase plant polyphenolic natural products with in silico inhibitory properties on seven non-structural proteins vital in SARS-CoV-2 pathogenesis. Journal of Genetic Engineering and Biotechnology 19:1.
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Avinash Mishra, Wajihul Hasan Khan & Anurag S. Rathore. (2021) Synergistic Effects of Natural Compounds Toward Inhibition of SARS-CoV-2 3CL Protease. Journal of Chemical Information and Modeling 61:11, pages 5708-5718.
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