R. Jawarkar

发表

Molecular docking and quantitative structure–activity relationship (QSAR) analyses of indolylarylsulfones as HIV-1 non-nucleoside reverse transcriptase inhibitors

B. Bandgar, T. Hadda, V. Masand, 2013, Medicinal Chemistry Research.

Does tautomerism influence the outcome of QSAR modeling?

V. Rastija, A. Alafeefy, T. Ben Hadda, 2013, Medicinal Chemistry Research.

Mechanistic Analysis of Chemically Diverse Bromodomain-4 Inhibitors Using Balanced QSAR Analysis and Supported by X-ray Resolved Crystal Structures

M. Zaki, Aamal A. Al-Mutairi, V. Masand, 2022, Pharmaceuticals.

QSAR, pharmacophore modeling and molecular docking studies to identify structural alerts for some nitrogen heterocycles as dual inhibitor of telomerase reverse transcriptase and human telomeric G-quadruplex DNA

R. Jawarkar, J. Manwar, R. Bakal, 2021, Future Journal of Pharmaceutical Sciences.

Identification of concealed structural alerts using QSTR modeling for Pseudokirchneriella subcapitata.

Arabinda Ghosh, M. Zaki, V. Masand, 2021, Aquatic toxicology.

Exploring the use of herbal drugs and advanced supporting techniques for wound healing

R. Jawarkar, Prashant J. Burange, J. Manwar, 2022, Bulletin of the National Research Centre.

Impact of tautomery of 3-(4H-1,2,4-triazol-3-ylthio)-N-phenylpropanamide on the COX-1 inhibitory mechanism

R. Jawarkar, D. Chaple, P. N. Khatale, 2013, Journal of enzyme inhibition and medicinal chemistry.

Perceiving the Concealed and Unreported Pharmacophoric Features of the 5-Hydroxytryptamine Receptor Using Balanced QSAR Analysis

S. N. Bukhari, H. Ejaz, P. Alam, 2022, Pharmaceuticals.

Docking Analysis of Darunavir as HIV Protease Inhibitors

R. Jawarkar, N. S. Mahajan, P. N. Khatale, 2012 .

k-NN, quantum mechanical and field similarity based analysis of xanthone derivatives as α-glucosidase inhibitors

K. D. Chinchkhede, T. Hadda, V. Masand, 2012, Medicinal Chemistry Research.

COMFA Analysis and toxicity risk assessment of coumarin analogues as Mao-A Inhibitors: Attempting better insight in drug design

T. Hadda, D. T. Mahajan, R. Jawarkar, 2010 .

Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer’s disease

A. Alexiou, M. Kamal, Asma Perveen, 2022, Frontiers in Aging Neuroscience.

Optimization of Antimalarial Activity of Synthetic Prodiginines: QSAR, GUSAR, and CoMFA analyses

M. Youssoufi, T. Hadda, V. Masand, 2013, Chemical biology & drug design.

Molecular docking and quantitative structure–activity relationship (QSAR) analyses of indolylarylsulfones as HIV-1 non-nucleoside reverse transcriptase inhibitors

B. Bandgar, T. Hadda, V. Masand, 2013, Medicinal Chemistry Research.

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

M. Zaki, N. Jain, Aamal A. Al-Mutairi, 2022, Molecules.

Design, synthesis of quinolinyl Schiff bases and azetidinones as enoyl ACP-reductase inhibitors

T. Aminabhavi, M. Nadagouda, A. Gadad, 2015, Medicinal Chemistry Research.

POM analyses of antitrypanosomal activity of 2-iminobenzimidazoles: favorable and unfavorable parameters for drugs optimization

Taibi Ben Hadda, T. Ben Hadda, V. Masand, 2013, Medicinal Chemistry Research.

Molecular drug design, synthesis and pharmacophore site identification of spiroheterocyclic compounds: Trypanosoma crusi inhibiting studies

T. Ben Hadda, A. Leite, V. Masand, 2012, Medicinal Chemistry Research.

Design, synthesis of quinolinyl Schiff bases and azetidinones as enoyl ACP-reductase inhibitors

T. Aminabhavi, M. Nadagouda, A. Gadad, 2015, Medicinal Chemistry Research.

Target Specific Inhibition of Protein Tyrosine Kinase in Conjunction With Cancer and SARS-COV-2 by Olive Nutraceuticals

Arabinda Ghosh, Gomaa Mostafa-Hedeab, G. Batiha, 2022, Frontiers in Pharmacology.

k-NN, quantum mechanical and field similarity based analysis of xanthone derivatives as α-glucosidase inhibitors

K. D. Chinchkhede, T. Hadda, V. Masand, 2012, Medicinal Chemistry Research.

QSAR and CoMFA studies of biphenyl analogs of the anti-tuberculosis drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo [2,1-b][1,3]oxazine (PA-824)

Vijay H. Masand, Taibi Ben Hadda, Rahul D. Jawarkar, 2011, Medicinal Chemistry Research.

Presuming the Probable Anti-inflammatory Mechanism of Ursolic Acid: a plant derived pentacyclic triterpenoid, using molecular docking

T. Hadda, D. T. Mahajan, R. Jawarkar, 2011 .

3D-QSAR Study on Coumarin Analogues as Potent Inhibitors of MAO-B using a COMFA Approach.

M. Youssoufi, T. Hadda, D. T. Mahajan, 2010 .

3D-QSAR studies on xanthone derivatives to understand pharmacological activities as MAO inhibitors.

V. Masand, D. T. Mahajan, R. Jawarkar, 2010 .

Correlation potential of Wiener index vis-à-vis molecular refractivity: Anti-malarial activity of xanthone derivatives

R. Jawarkar, K. N. Patil, V. H. Mas, 2010 .

Pharmacognosy, phytochemistry, pharmacology and clinical application of Ginkgo biloba

R. Jawarkar, J. Manwar, R. Bakal, 2021 .

Role of phytochemicals as potential radioprotectants

R. Jawarkar, Israa Lewaa, R. Bakal, 2022, Bulletin of the National Research Centre.

Computational POM and 3D-QSAR evaluation of experimental in vitro HIV-1-Integrase inhibition of amide-containing diketoacids

Z. Chohan, T. Hadda, V. Masand, 2013, Medicinal Chemistry Research.

CoMSIA and POM analyses of anti-malarial activity of synthetic prodiginines.

V. Rastija, T. Ben Hadda, V. Masand, 2012, Bioorganic & medicinal chemistry letters.

POM as Efficient Tools to Predict and Improve Both Antibacterial and Antifungal Activity of Aryl Aldazines

T. Hadda, V. Masand, R. Jawarkar, 2011 .

Exploring the mechanism of Zanamivir as Anti-AIV agent by Molecular Docking and receptor based electrostatic analysis

T. Hadda, R. Jawarkar, P. N. Khatale, 2011 .

In-silico studies to recognize repurposing therapeutics toward arginase-I inhibitors as a potential onco-immunomodulators

M. Zaki, Aamal A. Al-Mutairi, R. Jawarkar, 2023, Frontiers in Pharmacology.

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

Arabinda Ghosh, M. Zaki, Aamal A. Al-Mutairi, 2022, Molecules.

Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches

Arabinda Ghosh, M. Zaki, V. Masand, 2022, Saudi pharmaceutical journal : SPJ : the official publication of the Saudi Pharmaceutical Society.

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

Arabinda Ghosh, M. Zaki, V. Masand, 2021, Arabian Journal of Chemistry.

Does tautomerism influence the outcome of QSAR modeling?

V. Rastija, A. Alafeefy, T. Ben Hadda, 2013, Medicinal Chemistry Research.

Molecular drug design, synthesis and pharmacophore site identification of spiroheterocyclic compounds: Trypanosoma crusi inhibiting studies

T. Ben Hadda, A. Leite, V. Masand, 2012, Medicinal Chemistry Research.

Mechanistic QSAR analysis to predict the binding affinity of diverse heterocycles as selective cannabinoid 2 receptor inhibitor

M. Zaki, R. Jawarkar, S. Al-Hussain, 2023, Journal of Taibah University for Science.

QSAR and CoMFA studies of biphenyl analogs of the anti-tuberculosis drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo [2,1-b][1,3]oxazine (PA-824)

T. Hadda, V. Masand, D. T. Mahajan, 2012, Medicinal Chemistry Research.

In silico study to recognize novel angiotensin-converting-enzyme-I inhibitors by 2D-QSAR and constraint-based molecular simulations.

M. Zaki, V. Masand, R. Jawarkar, 2023, Journal of Biomolecular Structure and Dynamics.

Challenges and measures during management of mounting biomedical waste in COVID-19 pandemic: an Indian approach

R. Jawarkar, M. Charde, R. Bakal, 2022, Bulletin of the National Research Centre.

Application of in-silico drug discovery techniques to discover a novel hit for target-specific inhibition of SARS-CoV-2 Mpro’s revealed allosteric binding with MAO-B receptor: A theoretical study to find a cure for post-covid neurological disorder

M. Zaki, Aamal A. Al-Mutairi, V. Masand, 2024, PloS one.

QSAR modeling approaches to identify a novel ACE2 inhibitor that selectively bind with the C and N terminals of the ectodomain

S. Rashid, M. Zaki, Aamal A. Al-Mutairi, 2023, Journal of biomolecular structure & dynamics.

Multi-Target In-Silico modeling strategies to discover novel angiotensin converting enzyme and neprilysin dual inhibitors

V. Masand, R. Jawarkar, S. Al-Hussain, 2024, Scientific reports.