In silico modelling, identification of crucial molecular fingerprints, and prediction of new possible substrates of human organic cationic transporters 1 and 2-Reference-Cited by-同舟云学术

In silico modelling, identification of crucial molecular fingerprints, and prediction of new possible substrates of human organic cationic transporters 1 and 2

Published:2020 Issue:10 Volume:44 Page:4129-4143
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Baidya Anurag T. K.¹²³⁴⁵,Ghosh Kalyan¹²³⁴⁵,Amin Sk. Abdul⁶⁷⁸⁹¹⁰^ORCID,Adhikari Nilanjan⁶⁷⁸⁹¹⁰^ORCID,Nirmal Jayabalan¹¹¹²¹³¹⁴¹⁵,Jha Tarun⁶⁷⁸⁹¹⁰^ORCID,Gayen Shovanlal¹²³⁴⁵^ORCID

Affiliation:

1. Laboratory of Drug Design and Discovery

2. Department of Pharmaceutical Sciences

3. Dr H. S. Gour University

4. Sagar

5. India

6. Natural Science Laboratory

7. Division of Medicinal and Pharmaceutical Chemistry

8. Department of Pharmaceutical Technology

9. Jadavpur University

10. Kolkata

11. Translational Pharmaceutics Laboratory

12. Department of Pharmacy

13. BITS-Pilani

14. Hyderabad Campus

15. Hyderabad 500078

Abstract

The cation membrane transporters are crucial to regulate movement of foreign molecules within the body. The present study found out structural fingerprints within molecules to be recognized as substrate/non-substrate against these transporters.

Funder

Council of Scientific and Industrial Research, India

University Grants Commission

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2020/NJ/C9NJ05825G

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