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21 . Academic Journal
Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer’s disease.
저자
by
Mukerjee, Nobendu
;
Das, Anubhab
;
Jawarkar, Rahul D.
;
Maitra, Swastika
;
Das, Padmashree
, et al.
소스
Frontiers in Aging Neuroscience; 8/22/2022, Vol. 14, p1-22, 22p
Web of Science
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27 . Academic Journal
Mesoporous Silica Modified with 2-Phenylimidazo[1,2-a] pyridine-3-carbaldehyde as an Effective Adsorbent for Cu(II) from Aqueous Solutions: A Combined Experimental and Theoretical Study.
저자
by
Saddik, Rafik
;
Hammoudan, Imad
;
Tighadouini, Said
;
Roby, Othmane
;
Radi, Smaail
, et al.
소스
Molecules
. Aug2022, Vol. 27 Issue 16, p5168-5168. 20p.
Web of Science
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27 . Academic Journal
QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads.
저자
by
Jawarkar, Rahul D.
;
Sharma, Praveen
;
Jain, Neetesh
;
Gandhi, Ajaykumar
;
Mukerjee, Nobendu
, et al.
소스
Molecules
. Aug2022, Vol. 27 Issue 15, p4951-4951. 27p.
Web of Science
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27 . Academic Journal
QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA.
저자
by
Jawarkar, Rahul D.
;
Bakal, Ravindra L.
;
Mukherjee, Nobendu
;
Ghosh, Arabinda
;
Zaki, Magdi E. A.
, et al.
소스
Molecules
. Aug2022, Vol. 27 Issue 15, p4758-4758. 29p.
Web of Science
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27 . Academic Journal
PyDescriptor: A new PyMOL plugin for calculating thousands of easily understandable molecular descriptors
저자
by
Masand, Vijay H.
;
Rastija, Vesna
.
소스
In
Chemometrics and Intelligent Laboratory Systems
15 October 2017 169:12-18
Full Text (ScienceDirect)
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24 . Academic Journal
Synthesis and Evaluation of Some New 4 H -Pyran Derivatives as Antioxidant, Antibacterial and Anti-HCT-116 Cells of CRC, with Molecular Docking, Antiproliferative, Apoptotic and ADME Investigations.
저자
by
El-Sayed, Nahed N. E.
;
Zaki, Magdi E. A.
;
Al-Hussain, Sami A.
;
Ben Bacha, Abir
;
Berredjem, Malika
, et al.
소스
Pharmaceuticals (14248247)
. Jul2022, Vol. 15 Issue 7, pN.PAG-N.PAG. 39p.
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27 . Academic Journal
Perceiving the Concealed and Unreported Pharmacophoric Features of the 5-Hydroxytryptamine Receptor Using Balanced QSAR Analysis.
저자
by
Bukhari, Syed Nasir Abbas
;
Elsherif, Mervat Abdelaziz
;
Junaid, Kashaf
;
Ejaz, Hasan
;
Alam, Pravej
, et al.
소스
Pharmaceuticals (14248247)
. Jul2022, Vol. 15 Issue 7, pN.PAG-N.PAG. 18p.
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27 . Academic Journal
Mechanistic Analysis of Chemically Diverse Bromodomain-4 Inhibitors Using Balanced QSAR Analysis and Supported by X-ray Resolved Crystal Structures.
저자
by
Zaki, Magdi E. A.
;
Al-Hussain, Sami A.
;
Al-Mutairi, Aamal A.
;
Masand, Vijay H.
;
Samad, Abdul
, et al.
소스
Pharmaceuticals (14248247)
. Jun2022, Vol. 15 Issue 6, p745-N.PAG. 15p.
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27 . Academic Journal
Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches.
저자
by
Bakal, Ravindra L.
;
Jawarkar, Rahul D.
;
Manwar, J.V.
;
Jaiswal, Minal S.
;
Ghosh, Arabinda
, et al.
소스
Saudi Pharmaceutical Journal; Jun2022, Vol. 30 Issue 6, p693-710, 18p
Full Text (ScienceDirect)
Full Text (ScienceDirect O/A)
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27 . Academic Journal
Exploring the Prominent and Concealed Inhibitory Features for Cytoplasmic Isoforms of Hsp90 Using QSAR Analysis.
저자
by
Zaki, Magdi E. A.
;
Al-Hussain, Sami A.
;
Bukhari, Syed Nasir Abbas
;
Masand, Vijay H.
;
Rathore, Mithilesh M.
, et al.
소스
Pharmaceuticals (14248247)
. Mar2022, Vol. 15 Issue 3, p303. 14p.
Web of Science
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