Microorganisms 2021 Oct 23;9(11). Epub 2021 Oct 23.
Botulinum Research Center, Institute of Advanced Sciences, Dartmouth, MA 02747, USA.
Pharmaceuticals (Basel) 2021 Nov 15;14(11). Epub 2021 Nov 15.
Department of Chemistry and Nanotechnology, School of Engineering and Science, Tecnologico de Monterrey, Monterrey 64849, Mexico.
Crit Rev Biotechnol 2021 Nov 25:1-33. Epub 2021 Nov 25.
NanoBioTech Laboratory, Health Systems Engineering, Department of Environmental Engineering, Florida Polytechnic University, Lakeland, FL, USA.
J Forensic Leg Med 2021 Nov 20;85:102288. Epub 2021 Nov 20.
TBI Hospital, Mirzapur, Uttar Pradesh, 231001, India.
Urol Case Rep 2022 Jan 9;40:101941. Epub 2021 Nov 9.
Citrus Memorial Hospital, Inverness, FL, USA.
Urol Case Rep 2022 Jan 9;40:101940. Epub 2021 Nov 9.
Urol Case Rep 2022 Jan 2;40:101926. Epub 2021 Nov 2.
Sci Total Environ 2021 Nov 16:151607. Epub 2021 Nov 16.
National Remote Sensing Centre (NRSC), Indian Space Research Organization (ISRO), Hyderabad 500037, Telangana State, India. Electronic address:
Anticancer Agents Med Chem 2021 Nov 17. Epub 2021 Nov 17.
Department of Pharmaceutical Chemistry, School of Pharmaceutical Education and Research, Jamia Hamdard, New Delhi. India.
Bioorg Chem 2021 Nov 1;118:105464. Epub 2021 Nov 1.
Department of Human Genetics and Molecular Medicine, School of Health Sciences Central University of Punjab, Bathinda 151401, India. Electronic address:
J Infect Public Health 2021 Oct 30. Epub 2021 Oct 30.
UNESCO-UNISA Africa Chair in Nanosciences/Nanotechnology Laboratories, College of Graduate Studies, University of South Africa (UNISA), Muckleneuk Ridge, PO Box 392, Pretoria, South Africa; Nanosciences African Network (NANOAFNET), Materials Research Group (MRG), iThemba LABS-National Research Foundation (NRF), 1 Old Faure Road, 7129, PO Box 722, Somerset West, Western Cape Province, South Africa. Electronic address:
J Neurotrauma 2021 Nov 24:1-9. Epub 2021 Nov 24.
Department of Rehabilitation and Human Performance, Icahn School of Medicine at Mount Sinai, New York, New York, USA.
J Family Med Prim Care 2021 Sep 30;10(9):3247-3251. Epub 2021 Sep 30.
Department of Vice Chancellor, UP University of Medical Sciences, Etawah, Uttar Pradesh, India.
Monaldi Arch Chest Dis 2021 Nov 3. Epub 2021 Nov 3.
Department of Pulmonary Medicine, Vallabhbhai Patel Chest Institute, University of Delhi.
J Med Chem 2021 Nov 2. Epub 2021 Nov 2.
Laboratory for Drug Design and Synthesis, Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Bathinda 151401, India.
Urol Case Rep 2022 Jan 12;40:101885. Epub 2021 Oct 12.
Cureus 2021 Sep 18;13(9):e18087. Epub 2021 Sep 18.
Surgery, Jawaharlal Institute of Postgraduate Medical Education & Research, Puducherry, IND.
Neurorehabil Neural Repair 2021 Oct 23:15459683211048771. Epub 2021 Oct 23.
Department of Physical Medicine & Rehabilitation, 171669University of Pittsburgh, Pittsburgh, PA, USA.
J Invest Dermatol 2021 Oct 20. Epub 2021 Oct 20.
Wellman Center for Photomedicine and Department of Dermatology; MGH Cancer Center, Massachusetts General Hospital, Harvard Medical School, Boston, MA. Electronic address:
Redox Biol 2021 11 12;47:102163. Epub 2021 Oct 12.
Department of Physiology, University of Tennessee Health Science Center, Memphis, TN, 38163, USA. Electronic address:
Urol Oncol 2021 Dec 8;39(12):793-796. Epub 2021 Oct 8.
Department of Urology, University Medical Center Hamburg-Eppendorf, Hamburg, Germany.
Mil Med 2021 Oct 9. Epub 2021 Oct 9.
Department of Rehabilitation Medicine, Icahn School of Medicine at Mount Sinai, New York, NY 10029, USA.
Brain Behav Immun Health 2021 Feb 15;11:100185. Epub 2020 Dec 15.
Department of Physical Medicine and Rehabilitation, School of Medicine, University of Pittsburgh, USA.
Arch Phys Med Rehabil 2021 Sep 10. Epub 2021 Sep 10.
J Clin Monit Comput 2021 Sep 7. Epub 2021 Sep 7.
Biomedical Instruments & Devices, Postgraduate Institute of Medical Education & Research, Chandigarh, India.
Curr Top Med Chem 2021 08 4. Epub 2021 Aug 4.
Laboratory for Drug Design and Synthesis, Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Bathinda. India.
Methods: Our study aimed to design novel anti-tumour agents (PKM2 inhibitors) focusing on the shikonin scaffold with a better activity using computational methods. We applied a three-dimensional quantitative structure-activity relationship (3D-QSAR) approach using Field-Based QSAR.
Results:The comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were performed on a series of forty shikonin derivatives, including shikonin, to develop robust models and rationalize the PKM2 inhibitory activity profile by building a correlation between structural features and activity.
Conclusion: These predictive computational models will further help the design and synthesis of potent PKM2 inhibitors and their fast biological assessment at low cost.
Cureus 2021 Jun 30;13(6):e16066. Epub 2021 Jun 30.
Surgery, Jawaharlal Institute of Postgraduate Medical Education and Research, Puducherry, IND.
Front Microbiol 2021 16;12:694847. Epub 2021 Jul 16.
Department of Molecular Genetics, Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Groningen, Netherlands.
Aquac Int 2021 Jul 26:1-10. Epub 2021 Jul 26.
Peninsular and Marine Fish Genetic Resources Centre, ICAR-National Bureau of Fish Genetic Resources, CMFRI Campus, P.O. Number 1603, Kochi, Kerala 682018 India.
Cureus 2021 Jun 24;13(6):e15898. Epub 2021 Jun 24.
Surgery, Jawaharlal Institute of Postgraduate Medical Education and Research (JIPMER), Puducherry, IND.