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Mohsin Yousuf Lone
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Synthesis, Structure, and Optical Studies of Donor–Acceptor‐Type Near‐Infrared (NIR) Aza–Boron‐Dipyrromethene (BODIPY) Dyes
N Balsukuri, MY Lone, PC Jha, S Mori, I Gupta
Chemistry–An Asian Journal 11 (10), 1572-1587, 2016
522016
Pharmacophore model prediction, 3D-QSAR and molecular docking studies on vinyl sulfones targeting Nrf2-mediated gene transcription intended for anti-Parkinson drug design
M Athar, MY Lone, VM Khedkar, PC Jha
Journal of Biomolecular Structure and Dynamics 34 (6), 1282-1297, 2016
482016
Bridged bis-BODIPYs: their synthesis, structures and properties
PE Kesavan, S Das, MY Lone, PC Jha, S Mori, I Gupta
Dalton Transactions 44 (39), 17209-17221, 2015
442015
Electrochemical and theoretical investigation of the inhibitory effect of two Schiff bases of benzaldehyde for the corrosion of aluminium in hydrochloric acid
UJ Naik, PC Jha, MY Lone, RR Shah, NK Shah
Journal of Molecular Structure 1125, 63-72, 2016
292016
Donor-acceptor architectures of tetraphenylethene linked aza-BODIPYs: Synthesis, crystal structure, energy transfer and computational studies
N Balsukuri, N Manav, MY Lone, S Mori, A Das, P Sen, I Gupta
Dyes and Pigments 176, 108249, 2020
282020
Identification of Mycobacterium tuberculosis enoyl-acyl carrier protein reductase inhibitors: A combined in-silico and in-vitro analysis
MY Lone, M Athar, VK Gupta, PC Jha
Journal of Molecular Graphics and Modelling 76, 172-180, 2017
242017
Investigation of structural and conformational equilibrium of Oxacalix [4] arene: A density functional theory approach
M Athar, MY Lone, PC Jha
Journal of Molecular Liquids 237, 473-483, 2017
242017
Identification of InhA inhibitors: A combination of virtual screening, molecular dynamics simulations and quantum chemical studies
MY Lone, A Manhas, M Athar, PC Jha
Journal of Biomolecular Structure and Dynamics 36 (11), 2951-2965, 2018
222018
Multicomplex-based pharmacophore modeling coupled with molecular dynamics simulations: An efficient strategy for the identification of novel inhibitors of PfDHODH
A Manhas, MY Lone, PC Jha
Journal of Molecular Graphics and Modelling 75, 413-423, 2017
212017
Identification of natural compound inhibitors against PfDXR: A hybrid structure‐based molecular modeling approach and molecular dynamics simulation studies
A Manhas, D Patel, MY Lone, PC Jha
Journal of Cellular Biochemistry 120 (9), 14531-14543, 2019
192019
Recognition of anions using urea and thiourea substituted calixarenes: a density functional theory study of non-covalent interactions
M Athar, MY Lone, PC Jha
Chemical Physics 501, 68-77, 2018
192018
First protein drug target’s appraisal of lead-likeness descriptors to unfold the intervening chemical space
M Athar, MY Lone, PC Jha
Journal of Molecular Graphics and Modelling 72, 272-282, 2017
172017
Corrosion inhibition and adsorption behaviour of black pepper extract on pure aluminum in hydrochloric acid medium: A combined experimental and computational study
D Ladha, N Shah, S Thakur, M Lone, P Jha
Pigment & Resin Technology 45 (2), 106-118, 2016
172016
In search of the representative pharmacophore hypotheses of the enzymatic proteome of Plasmodium falciparum: a multicomplex-based approach
A Manhas, MY Lone, PC Jha
Molecular Diversity 23, 453-470, 2019
152019
Prioritization of natural compounds against mycobacterium tuberculosis 3-dehydroquinate dehydratase: A combined in-silico and in-vitro study
MY Lone, M Athar, VK Gupta, PC Jha
Biochemical and biophysical research communications 491 (4), 1105-1111, 2017
152017
Evaluation of fennel seed extract as a green corrosion inhibitor for pure aluminum in hydrochloric acid: an experimental and computational approach
DG Ladha, PM Wadhwani, MY Lone, PC Jha, NK Shah
Anal. Bioanal. Electrochem 7 (1), 59-74, 2015
152015
Luminescent iridium (III) dipyrrinato complexes: synthesis, X-ray structures, and DFT and photocytotoxicity studies of glycosylated derivatives
N Manav, MY Lone, MK Raza, J Chavda, S Mori, I Gupta
Dalton Transactions 51 (10), 3849-3863, 2022
142022
Identification of PfENR inhibitors: A hybrid structure‐based approach in conjunction with molecular dynamics simulations
A Manhas, A Patel, MY Lone, PK Jha, PC Jha
Journal of Cellular Biochemistry 119 (10), 8490-8500, 2018
142018
Designing of calixarene based drug carrier for dasatinib, lapatinib and nilotinib using multilevel molecular docking and dynamics simulations
M Athar, MY Lone, PC Jha
Journal of Inclusion Phenomena and Macrocyclic Chemistry 90, 157-169, 2018
132018
Multicomplex-based pharmacophore modeling in conjunction with multi-target docking and molecular dynamics simulations for the identification of PfDHFR inhibitors
A Manhas, MY Lone, PC Jha
Journal of Biomolecular Structure and Dynamics, 2019
122019
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Articles 1–20