Advanced search
Publication Cover
Polycyclic Aromatic Compounds Volume 43, 2023 - Issue 3
Submit an article Journal homepage
299
Views
4
CrossRef citations to date
0
Altmetric
Research Articles

Structural, Electronic, Vibrational and Pharmacological Investigations of Highly Functionalized Diarylmethane Molecules Using DFT Calculations, Molecular Dynamics and Molecular Docking

Priyanka B. Kolea Chemistry Division, School of Advanced Science, VIT University, Chennai, IndiaView further author information
,
Shiva Prasad Kollurb School of Agriculture, Geography, Environment, Ocean and Natural Sciences (SAGEONS), The University of the South Pacific, Suva, Fiji;c Department of Sciences, Amrita School of Arts and Sciences, Amrita Vishwa Vidyapeetham, Mysuru, IndiaCorrespondence[email protected]
View further author information
,
H. D. Revanasiddappad Department of Studies in Chemistry, University of Mysore, Mysuru, IndiaView further author information
,
Chandan Shivamallue Department of Biotechnology and Bioinformatics, Faculty of Life Sciences, JSS Academy of Higher Education and Research (JSSAHER), Mysuru, IndiaView further author information
,
Renyer A. Costaf Department of Chemistry, Federal University of Amazonas (DQ-UFAM), Manaus, BrazilView further author information
,
Earle S. A. Juniorf Department of Chemistry, Federal University of Amazonas (DQ-UFAM), Manaus, BrazilView further author information
,
Lucas M. Anselmof Department of Chemistry, Federal University of Amazonas (DQ-UFAM), Manaus, BrazilView further author information
,
Jonathas N. da Silvaf Department of Chemistry, Federal University of Amazonas (DQ-UFAM), Manaus, BrazilView further author information
,
Chandrashekar Srinivasag Department of Studies in Biotechnology, Davangere University, Davangere, IndiaView further author information
,
Asad Syedh Department of Botany and Microbiology, College of Science, King Saud University, Riyadh, Saudi ArabiaView further author information
&
Fateh V. Singha Chemistry Division, School of Advanced Science, VIT University, Chennai, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-6358-4408View further author information
ORCID Icon show all
Pages 2177-2195 | Received 03 Feb 2020, Accepted 03 Feb 2022, Published online: 16 Feb 2022

Citations (4)

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 (2)

Fei Xiong, Lu Chen, Yan-jun Zhang, Yi-ren Zhu, Chen Sun, Chao Ma, Shuai-jun Zhang & Zhong-hua Wang. (2023) Molecular Modeling and Docking Studies of 2,4,5-Trisubstituted Pyrimidines as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. Polycyclic Aromatic Compounds 43:9, pages 7870-7889.
Read now
Lamya H. Al-Wahaibi, Ali A. El-Emam, Hanan M. Hassan, Y. Sheena Mary, Y. Shyma Mary, Renyer A. Costa, Emmanoel V. Costa, Victor L. Tananta & Amal A. El-Masry. (2023) DFT Studies and Acetylcholinesterase Inhibition Capacity Analysis of an Adamantane-Isothiourea Derivative via Docking and MD Calculations. Polycyclic Aromatic Compounds 0:0, pages 1-16.
Read now

Articles from other publishers (2)

Neslihan Kaya Kınaytürk, Taner Kalaycı, Belgin Tunalı & Deniz Türköz Altuğ. (2023) A spectroscopic approach to compare the quantum chemical calculations and experimental characteristics of some organic molecules; Benzene, Toluene, P-Xylene, P-Toluidine. Chemical Physics 570, pages 111905.
Crossref
Mehmet BAĞLAN, Ümit YILDIKO & Kenan GÖREN. (2022) DFT CALCULATIONS AND MOLECULAR DOCKING STUDY IN 6-(2”-PYRROLIDINONE-5”-YL)-(-) EPICATECHIN MOLECULE FROM FLAVONOIDSFLAVONOİDLERDEN 6-(2”-PYROLİDİNONE-5”-YL)-(-)EPİCATECHİN MOLEKÜLÜNDE DFT HESAPLAMALARI VE MOLEKÜLER YERLEŞTİRME ÇALIŞMASI. Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B - Teorik Bilimler.
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.