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1 . Academic Journal
QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CLpro Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches
저자
by
Jawarkar, R.D.
;
Bakal, Ravindrakumar L.
;
Zaki, Magdi E.A.
;
Al-Hussain, Sami
;
Ghosh, Arabinda
, et al.
소스
In
Arabian Journal of Chemistry
January 2022 15(1)
Full Text (ScienceDirect)
Full Text (ScienceDirect O/A)
Web of Science
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7 . Academic Journal
Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations
저자
by
Masand, Vijay H.
;
Sk, Md Fulbabu
;
Kar, Parimal
;
Rastija, Vesna
;
Zaki, Magdi E.A.
.
소스
In
Chemometrics and Intelligent Laboratory Systems
15 October 2021 217
Full Text (ScienceDirect)
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7 . Academic Journal
Balanced QSAR analysis to identify the structural requirements of ABBV-075 (Mivebresib) analogues as bromodomain and extraterminal domain (BET) family bromodomain inhibitor
저자
by
Masand, Vijay H.
;
Patil, Meghshyam K.
;
El-Sayed, Nahed Nasser E.
;
Zaki, Magdi E.A.
;
Almarhoon, Zainab
, et al.
소스
In
Journal of Molecular Structure
5 April 2021 1229
Full Text (ScienceDirect)
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7 . Academic Journal
Structure features of peptide-type SARS-CoV main protease inhibitors: Quantitative structure activity relationship study
저자
by
Masand, Vijay H.
;
Akasapu, Siddhartha
;
Gandhi, Ajaykumar
;
Rastija, Vesna
;
Patil, Meghshyam K.
.
소스
In
Chemometrics and Intelligent Laboratory Systems
15 November 2020 206
Full Text (ScienceDirect)
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7 . Academic Journal
Multiple quantitative structure-activity relationships (QSARs) analysis for orally active trypanocidal N-myristoyltransferase inhibitors
저자
by
Masand, Vijay H.
;
El-Sayed, Nahed N.E.
;
Bambole, Mukesh U.
;
Patil, Vaijant R.
;
Thakur, Sumer D.
.
소스
In
Journal of Molecular Structure
5 January 2019 1175:481-487
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7 . Academic Journal
Multiple QSAR models, pharmacophore pattern and molecular docking analysis for anticancer activity of α, β-unsaturated carbonyl-based compounds, oxime and oxime ether analogues
저자
by
Masand, Vijay H.
;
El-Sayed, Nahed N.E.
;
Bambole, Mukesh U.
;
Quazi, Syed A.
.
소스
In
Journal of Molecular Structure
5 April 2018 1157:89-96
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6 . Academic Journal
QSAR modeling for anti-human African trypanosomiasis activity of substituted 2-Phenylimidazopyridines
저자
by
Masand, Vijay H.
;
El-Sayed, Nahed N.E.
;
Mahajan, Devidas T.
;
Mercader, Andrew G.
;
Alafeefy, Ahmed M.
, et al.
소스
In
Journal of Molecular Structure
15 February 2017 1130:711-718
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7 . Academic Journal
Estrogen Receptor Alpha Binders for Hormone-Dependent Forms of Breast Cancer: e‑QSAR and Molecular Docking Supported by X‑ray Resolved Structures.
저자
by
Masand, Vijay H.
;
Al-Hussain, Sami A.
;
Alzahrani, Abdullah Y.
;
Al-Mutairi, Aamal A.
;
Hussien, Rania A.
, et al.
소스
ACS Omega; 4/9/2024, Vol. 9 Issue 4, p16759-16774, 16p
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7 . Academic Journal
QSAR modeling approaches to identify a novel ACE2 inhibitor that selectively bind with the C and N terminals of the ectodomain.
저자
by
Jawarkar, Rahul D.
;
Zaki, Magdi E. A.
;
Al-Hussain, Sami A.
;
Al-Mutairi, Aamal A.
;
Samad, Abdul
, et al.
소스
Journal of Biomolecular Structure & Dynamics; Mar2024, Vol. 42 Issue 5, p2550-2569, 20p
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7 . Academic Journal
In silico study to recognize novel angiotensin-converting-enzyme-I inhibitors by 2D-QSAR and constraint-based molecular simulations.
저자
by
Shah, Sapan
;
Chaple, Dinesh
;
Masand, Vijay H.
;
Zaki, Magdi E.A
;
Al-Hussain, Sami A.
, et al.
소스
Journal of Biomolecular Structure & Dynamics; Mar2024, Vol. 42 Issue 5, p2211-2230, 20p
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