Advanced search
Publication Cover
Natural Product Research
Formerly Natural Product Letters
Volume 38, 2024 - Issue 5
Submit an article Journal homepage
292
Views
8
CrossRef citations to date
0
Altmetric
Short Communications

Exploration of limonoids for their broad spectrum antiviral potential via DFT, molecular docking and molecular dynamics simulation approach

Sneha Rochlania Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-1996-8284View further author information
ORCID Icon,
Manish Bhatiaa Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, IndiaORCID Iconhttps://orcid.org/0000-0003-4045-5280View further author information
ORCID Icon,
Sanket Rathoda Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, IndiaORCID Iconhttps://orcid.org/0000-0002-8037-5974View further author information
ORCID Icon,
Prafulla Choudharia Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, IndiaORCID Iconhttps://orcid.org/0000-0002-9137-3982View further author information
ORCID Icon &
Rakesh Dhavaleb Department of Pharmaceutics, Bharati Vidyapeeth College of Pharmacy, Kolhapur, India;a Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of Pharmacy, Kolhapur, IndiaORCID Iconhttps://orcid.org/0000-0003-4647-4757View further author information
ORCID Icon
Pages 891-896 | Received 11 Feb 2023, Accepted 07 Apr 2023, Published online: 19 Apr 2023

Citations (8)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (4)

Sanket Rathod, Sonali Shinde, Prafulla Choudhari, Aniket Sarkate, Somdatta Chaudhari & Aarti Shingan. (2024) Exploring binding potential of two new indole alkaloids from Nauclea officinalis against third and fourth generation EGFR: druglikeness, in silico ADMET, docking, DFT, molecular dynamics simulation, and MMGBSA study. Natural Product Research 0:0, pages 1-8.
Read now
Sujata Choudhari, Sachin Kumar Patil & Sanket Rathod. (2023) Identification of hits as anti-obesity agents against human pancreatic lipase via docking, drug-likeness, in-silico ADME(T), pharmacophore, DFT, molecular dynamics, and MM/PB(GB)SA analysis. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-23.
Read now
Sanket Rathod, Sreenath Dey, Swaranjali Pawar, Rakesh Dhavale, Prafulla Choudhari, Eerappa Rajakumara, Deepak Mahuli, Durgacharan Bhagwat, Yasinalli Tamboli, Poournima Sankpal, Sachin Mali & Harinath More. (2023) Identification of potential biogenic chalcones against antibiotic resistant efflux pump (AcrB) via computational study. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-19.
Read now
Sanket Rathod, Sreenath Dey, Prafulla Choudhari, Deepak Mahuli, Sneha Rochlani, Rakesh Dhavale, Somdatta Chaudhari, Yasinalli Tamboli, Jaydeo Kilbile & Eerappa Rajakumara. High-throughput computational screening for identification of potential hits against bacterial Acriflavine resistance protein B (AcrB) efflux pump. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-17.
Read now

Articles from other publishers (4)

Pradnya Patil, Pruthanka Patil, Padma Dandge, Prakash Bansode, Bajarang Kumbhar, Wilson Chandane, Sanket Rathod, Prafulla Choudhari, Suraj Khot, Navanath Valekar, Dattaprasad Pore & Gajanan Rashinkar. (2024) Benzylpyrazolyl naphthoquinones as potential VEGFR-2, GPCR and PPAR inhibitors: Synthesis, anti-cancer evaluation, molecular docking and DFT studies. Journal of Molecular Structure 1301, pages 137202.
Crossref
Arshad Khan, Ibraheem Bushnak, Zhouyu Jiang, Rabia Usman, Prafulla B. Choudhari, Chao Feng, Rabih O. Al-Kaysi & Faiz-Ur Rahman. (2024) Novel jellyfish-shaped resorcin[4]arene macrocyclic cocrystal via collaboration of macrocyclic chemistry and co-crystal engineering: Insight into structural, noncovalent interactions and computational chemistry. Journal of Molecular Structure 1298, pages 137034.
Crossref
Rajubai D. Bakale, Shubham M. Sulakhe, Sanghratna L. Kasare, Bhaurao P. Sathe, Sanket S. Rathod, Prafulla B. Choudhari, Estharla Madhu Rekha, Dharmarajan Sriram & Kishan P. Haval. (2024) Design, synthesis and antitubercular assessment of 1, 2, 3-triazole incorporated thiazolylcarboxylate derivatives. Bioorganic & Medicinal Chemistry Letters 97, pages 129551.
Crossref
Sanket Rathod, Diksha Bhande, Swaranjali Pawar, Kondba Gumphalwad, Prafulla Choudhari & Harinath More. (2023) Identification of Potential Hits against Fungal Lysine Deacetylase Rpd3 via Molecular Docking, Molecular Dynamics Simulation, DFT, In-Silico ADMET and Drug-Likeness Assessment. Chemistry Africa.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.