Search Results - "Mahajan, Devidas T."

QSAR models for anti-malarial activity of 4-aminoquinolines by Masand, Vijay H, Toropov, Andrey A, Toropova, Alla P, Mahajan, Devidas T

“…In the present study, predictive quantitative structure - activity relationship (QSAR) models for anti-malarial activity of 4-aminoquinolines have been…”
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Synthesis of α, β-unsaturated carbonyl based compounds as acetylcholinesterase and butyrylcholinesterase inhibitors: Characterization, molecular modeling, QSAR studies and effect against amyloid β-induced cytotoxicity by Bukhari, Syed Nasir Abbas, Jantan, Ibrahim, Masand, Vijay H., Mahajan, Devidas T., Sher, Muhammad, Naeem-ul-Hassan, M., Amjad, Muhammad Wahab

“…A series of novel carbonyl compounds was synthesized by a simple, eco-friendly and efficient method. These compounds were screened for anti-oxidant activity,…”
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Optimization of antiproliferative activity of substituted phenyl 4-(2-oxoimidazolidin-1-yl) benzenesulfonates: QSAR and CoMFA analyses by Masand, Vijay H., Mahajan, Devidas T., Alafeefy, Ahmed M., Bukhari, Syed Nasir Abbas, Elsayed, Nahed N.

“…[Display omitted] Multiple separate quantitative structure–activity relationships (QSARs) models were built for the antiproliferative activity of substituted…”
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Quantitative structure–activity relationships (QSARs) and pharmacophore modeling for human African trypanosomiasis (HAT) activity of pyridyl benzamides and 3-(oxazolo[4,5-b]pyridin-2-yl)anilides by Masand, Vijay H., Mahajan, Devidas T., Maldhure, Atish K., Rastija, Vesna

“…In the present work, quantitative structure–activity relationship and pharmacophore modeling analysis were performed for human African trypanosomiasis healing…”
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CoMSIA and POM analyses of anti-malarial activity of synthetic prodiginines by Mahajan, Devidas T., Masand, Vijay H., Patil, Komalsing N., Hadda, Taibi Ben, Jawarkar, Rahul D., Thakur, Sumer D., Rastija, Vesna

“…In present work, 53 synthetic prodiginines were selected to establish thriving CoMSIA (Comparative Molecular Similarity Indices Analysis) model to explore the…”
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Optimization of Antimalarial Activity of Synthetic Prodiginines: QSAR, GUSAR, and CoMFA analyses by Masand, Vijay H., Mahajan, Devidas T., Patil, Komalsing N., Hadda, Taibi B., Youssoufi, Moulay H., Jawarkar, Rahul D., Shibi, Indira G.

“…In the present study, we have carried out extensive General Unrestricted Structure–Activity Relationships, conventional 3D‐Quantitative Structure–Activity…”
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Effect of information leakage and method of splitting (rational and random) on external predictive ability and behavior of different statistical parameters of QSAR model by Masand, Vijay H., Mahajan, Devidas T., Nazeruddin, Gulam M., Hadda, Taibi Ben, Rastija, Vesna, Alfeefy, Ahmed M.

“…Quantitative Structure–Activity Relationship not only provides guidelines regarding structural features responsible for biological activity but it can be used…”
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Tautomerism and multiple modelling enhance the efficacy of QSAR: antimalarial activity of phosphoramidate and phosphorothioamidate analogues of amiprophos methyl by Masand, Vijay H., Mahajan, Devidas T., Gramatica, Paola, Barlow, James

“…In the present study, sixty phosphoramidate and phosphorothioamidate analogues of amiprophos methyl (APM) previously reported as potential antimalarial agents…”
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QSAR modeling for anti-human African trypanosomiasis activity of substituted 2-Phenylimidazopyridines by Masand, Vijay H., El-Sayed, Nahed N.E., Mahajan, Devidas T., Mercader, Andrew G., Alafeefy, Ahmed M., Shibi, I.G.

“…In the present work, sixty substituted 2-Phenylimidazopyridines previously reported with potent anti-human African trypanosomiasis (HAT) activity were selected…”
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Does tautomerism influence the outcome of QSAR modeling? by Masand, Vijay H., Mahajan, Devidas T., Ben Hadda, Taibi, Jawarkar, Rahul D., Alafeefy, Ahmed M., Rastija, Vesna, Ali, Mohamed Ashraf

“…Tautomerism is an important aspect associated with a variety of pharmacologically and biologically active compounds. It is a challenge to account for…”
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Integrating GUSAR and QSAR analyses for antimalarial activity of synthetic prodiginines against multi drug resistant strain by Mahajan, Devidas T., Masand, Vijay H., Patil, Komalsing N., Hadda, Taibi Ben, Rastija, Vesna

“…In the present study, we have carried out extensive GUSAR and conventional 3D QSAR analyses of 49 synthetic prodiginines possessing moderate to high activities…”
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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) by Masand, Vijay H., Jawarkar, Rahul D., Mahajan, Devidas T., Hadda, Taibi Ben, Sheikh, Javed, Patil, Komalsingh N.

“…With the purpose of designing new chemical entities with enhanced inhibitory potencies against Mycobacterium tuberculosis , the 3D-QSAR CoMFA study carried out…”
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Molecular docking and quantitative structure–activity relationship (QSAR) analyses of indolylarylsulfones as HIV-1 non-nucleoside reverse transcriptase inhibitors by Masand, Vijay H., Mahajan, Devidas T., Hadda, Taibi Ben, Jawarkar, Rahul D., Chavan, Hemant, Bandgar, B. P., Chauhan, Harsh

“…Indolylarylsulfones (IASs) have received considerable interest during the last decades due to high potency against HIV-1 as non-nucleoside reverse…”
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k-NN, quantum mechanical and field similarity based analysis of xanthone derivatives as α-glucosidase inhibitors by Masand, Vijay H., Mahajan, Devidas T., Patil, Komalsing N., Chinchkhede, Krushna D., Jawarkar, Rahul D., Hadda, Taibi Ben, Alafeefy, Ahmed A., Shibi, I. G.

“…Herein, we have built up structure–activity relationship (SAR), k-nearest neighbor, quantum mechanical, field similarity analysis as well as a sufficient…”
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Optimization of Antimalarial Activity of Synthetic Prodiginines: QSAR , GUSAR , and Co MFA analyses by Masand, Vijay H., Mahajan, Devidas T., Patil, Komalsing N., Hadda, Taibi B., Youssoufi, Moulay H., Jawarkar, Rahul D., Shibi, Indira G.

“…In the present study, we have carried out extensive General Unrestricted Structure–Activity Relationships, conventional 3D‐Quantitative Structure–Activity…”
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