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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 4
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Research Articles

Ligand-based pharmacophore modeling of TNF-α to design novel inhibitors using virtual screening and molecular dynamics

Dhananjay D. JadeTranslational Bioinformatics Group, International Centre for Genetic Engineering and Biotechnology, New Delhi, IndiaView further author information
,
Rajan PandeyTranslational Bioinformatics Group, International Centre for Genetic Engineering and Biotechnology, New Delhi, IndiaView further author information
,
Rakesh KumarTranslational Bioinformatics Group, International Centre for Genetic Engineering and Biotechnology, New Delhi, IndiaView further author information
&
Dinesh GuptaTranslational Bioinformatics Group, International Centre for Genetic Engineering and Biotechnology, New Delhi, IndiaCorrespondence[email protected]
View further author information
Pages 1702-1718 | Received 17 Aug 2020, Accepted 29 Sep 2020, Published online: 09 Oct 2020

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Sunil Kumar Patnaik, Selvaraj Ayyamperumal, Dhananjay Jade, Nagarjuna Palathoti, Krishna Swaroop Akey, Srikanth Jupudi, Michael A. Harrison, Sreenivasan Ponnambalam, Nanjan MJ & Chandrasekar MJN. (2023) Virtual high throughput screening of natural peptides against ErbB1 and ErbB2 to identify potential inhibitors for cancer chemotherapy. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-24.
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Articles from other publishers (4)

Alejandro Speck-Planche & Valeria V. Kleandrova. (2022) Multi-Condition QSAR Model for the Virtual Design of Chemicals with Dual Pan-Antiviral and Anti-Cytokine Storm Profiles. ACS Omega 7:36, pages 32119-32130.
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Volodymyr Horishny, Athina Geronikaki, Victor Kartsev, Vasyl Matiychuk, Anthi Petrou, Pavel Pogodin, Vladimir Poroikov, Theodora A. Papadopoulou, Ioannis S. Vizirianakis, Marina Kostic, Marija Ivanov & Marina Sokovic. (2022) Synthesis, Biological Evaluation and Molecular Docking Studies of 5-Indolylmethylen-4-oxo-2-thioxothiazolidine Derivatives. Molecules 27:3, pages 1068.
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Muhammed Tilahun MUHAMMED & Esin AKI-YALCIN. (2021) Pharmacophore Modeling in Drug Discovery: Methodology and Current Status. Journal of the Turkish Chemical Society Section A: Chemistry 8:3, pages 749-762.
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Kauê Santana, Lidiane Diniz do Nascimento, Anderson Lima e Lima, Vinícius Damasceno, Claudio Nahum, Rodolpho C. Braga & Jerônimo Lameira. (2021) Applications of Virtual Screening in Bioprospecting: Facts, Shifts, and Perspectives to Explore the Chemo-Structural Diversity of Natural Products. Frontiers in Chemistry 9.
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