D. Lokwani

发表

BREED based de novo hybridization approach: generating novel T790M/C797S-EGFR tyrosine kinase inhibitors to overcome the problem of mutation and resistance in non small cell lung cancer (NSCLC)

H. Patel, S. Surana, Matin Shaikh, 2020, Journal of biomolecular structure & dynamics.

Development of triple mutant T790M/C797S allosteric EGFR inhibitors: a computational approach

Prasad Burra, P. Wakte, D. Lokwani, 2020, Journal of biomolecular structure & dynamics.

Hetero-substituted sulfonamido-benzamide hybrids as glucokinase activators: Design, synthesis, molecular docking and in-silico ADME evaluation

N. Charbe, Nikhil D. Amnerkar, S. Khadse, 2020 .

3D QSAR studies based in silico screening of 4,5,6-triphenyl-1,2,3,4-tetrahydropyrimidine analogs for anti-inflammatory activity.

D. Shinde, S. Mokale, D. Lokwani, 2014, European journal of medicinal chemistry.

Molecular dynamic simulations based discovery and development of thiazolidin-4-one derivatives as EGFR inhibitors targeting resistance in non-small cell lung cancer (NSCLC)

Shailee V. Tiwari, P. Wakte, D. Lokwani, 2022, Journal of biomolecular structure & dynamics.

Ultrasound assisted synthesis of tetrazole based pyrazolines and isoxazolines as potent anticancer agents via inhibition of tubulin polymerization.

Shailee V. Tiwari, Prasad Burra, Suneel S. Dodamani, 2020, Bioorganic & medicinal chemistry letters.

Structure-Based Site of Metabolism (SOM) Prediction of Ligand for CYP3A4 Enzyme: Comparison of Glide XP and Induced Fit Docking (IFD)

A. P. Nikalje, J. Seijas, D. Lokwani, 2020, Molecules.

Synthesis and evaluation of novel sulfonamide analogues of 6/7-aminoflavones as anticancer agents via topoisomerase II inhibition.

Shailee V. Tiwari, D. Lokwani, A. Sarkate, 2020, Bioorganic & medicinal chemistry letters.

DIPEAc promoted one-pot synthesis of dihydropyrido[2,3-d:6,5-d′]dipyrimidinetetraone and pyrimido[4,5-d]pyrimidine derivatives as potent tyrosinase inhibitors and anticancer agents: in vitro screening, molecular docking and ADMET predictions

Shailee V. Tiwari, Jyotirling R. Mali, D. Lokwani, 2018 .

Microwave-Assisted Facile Synthesis, Anticancer Evaluation and Docking Study of N-((5-(Substituted methylene amino)-1,3,4-thiadiazol-2-yl)methyl) Benzamide Derivatives

Shailee V. Tiwari, A. P. Nikalje, J. Seijas, 2017, Molecules.

Design, synthesis, and biological evaluation of novel quinoline derivatives as small molecule mutant EGFR inhibitors targeting resistance in NSCLC: In vitro screening and ADME predictions.

Shailee V. Tiwari, D. Lokwani, A. Sarkate, 2022, European journal of medicinal chemistry.

Green synthesis and biological evaluation of some new benzothiazolo [2,3-b] quinazolin-1-ones as anticancer agents

J. Sangshetti, D. Shinde, B. Raval, 2014, Medicinal Chemistry Research.

Use of Quantitative Structure–Activity Relationship (QSAR) and ADMET prediction studies as screening methods for design of benzyl urea derivatives for anti-cancer activity

R. Pujari, G. Shelke, V. Pawar, 2011, Journal of enzyme inhibition and medicinal chemistry.

Explorations of novel pyridine-pyrimidine hybrid phosphonate derivatives as aurora kinase inhibitors.

S. Gattani, D. Lokwani, S. Bhandari, 2022, Bioorganic & Medicinal Chemistry Letters.

One pot synthesis, in silico study and evaluation of some novel flavonoids as potent topoisomerase II inhibitors.

Shailee V. Tiwari, J. Sangshetti, Suneel S. Dodamani, 2021, Bioorganic & medicinal chemistry letters.

Design, synthesis, and evaluation of anti-inflammatory, analgesic, ulcerogenicity, and nitric oxide releasing studies of novel indomethacin analogs as non-ulcerogenic derivatives

K. Bothara, V. Pawar, D. Lokwani, 2010, Journal of enzyme inhibition and medicinal chemistry.

Design, synthesis, and pharmacological evaluation of [1, 3] dioxolo-chromeno[2,3-b]pyridines as anti-seizure agents.

S. Khadse, D. Lokwani, P. Padmaja, 2022, Molecular diversity.

Ultrasound Mediated One-Pot, Three Component Synthesis, Docking and ADME Prediction of Novel 5-Amino-2-(4-chlorophenyl)-7-Substituted Phenyl-8,8a-dihydro-7H-(1,3,4)thiadiazolo(3,2-α)pyrimidine-6-carbonitrile Derivatives as Anticancer Agents

A. P. Nikalje, J. Seijas, M. Vázquez-Tato, 2016, Molecules.

Development of energetic pharmacophore for the designing of 1,2,3,4-tetrahydropyrimidine derivatives as selective cyclooxygenase-2 inhibitors

Devanand Shinde, Deepak Lokwani, Reecha Shah, 2012, Journal of Computer-Aided Molecular Design.

Synthesis, Antifungal Activity, and Docking Study of Some New 1,2,4‐triazole Analogs

J. Sangshetti, D. Shinde, D. Lokwani, 2011, Chemical biology & drug design.

SYNTHESIS AND DOCKING STUDIES OF 2-(NITROOXY) ETHYL-4-(2-(SUBSTITUTED PHENYL)-4-(SUBSTITUTE DPHENYL)-1H-IMIDAZOL-1-YL) BENZOATE AS ANTI-INFLAMMATORY, ANALGESIC AND NITRIC OXIDE RELEASING AGENTS

D. Shinde, S. Bahekar, D. Lokwani, 2015 .

Green synthesis and biological evaluation of some new benzothiazolo [2,3-b] quinazolin-1-ones as anticancer agents

J. Sangshetti, D. Shinde, B. Raval, 2014, Medicinal Chemistry Research.

Investigating the Impact of Different Acrylamide (Electrophilic Warhead) on Osimertinib's Pharmacological Spectrum by Molecular Mechanic and Quantum Mechanic Approach.

H. Patel, S. Surana, R. Pawara, 2020, Combinatorial chemistry & high throughput screening.

Design, synthesis and pharmacological screening of novel nitric oxide donors containing 1,5-diarylpyrazolin-3-one as nontoxic NSAIDs.

K. Bothara, D. Lokwani, S. Bhandari, 2009, European journal of medicinal chemistry.

Synthesis and Evaluation of 1,2,3‐Triazole‐Containing Vinyl and Allyl Sulfones as Anti‐Trypanosomal Agents

Andrew J. S. Knox, D. Nolan, A. P. Nikalje, 2017 .

Molecular Docking Studies and Application of 6-(1-Arylmethanamino)-2-Phenyl-4H-Chromen-4-Ones as Potent Antibacterial Agents

D. Lokwani, A. Sarkate, S. Thopate, 2022, Polycyclic Aromatic Compounds.

A new efficient domino approach for the synthesis of coumarin-pyrazolines as antimicrobial agents targeting bacteriald-alanine-d-alanine ligase

Shailee V. Tiwari, Asha V. Chate, D. Lokwani, 2019, New Journal of Chemistry.

Structure Based Library Design (SBLD) for new 1,4-dihydropyrimidine scaffold as simultaneous COX-1/COX-2 and 5-LOX inhibitors.

P. Reddanna, D. Shinde, D. Lokwani, 2015, Bioorganic & medicinal chemistry.

Pharmaceutical analysis combined with in-silico therapeutic and toxicological profiling on zileuton and its impurities to assist in modern drug discovery.

Y. Vander Heyden, Dinesh M. Dhumal, D. Lokwani, 2019, Journal of pharmaceutical and biomedical analysis.

Synthesis, in-vitro reverse transcriptase inhibitory activity and docking study of some new imidazol-5-one analogs

D. Shinde, S. Mokale, D. Lokwani, 2014, Medicinal Chemistry Research.

In silico approach towards polyphenols as targeting glucosamine-6-phosphate synthase for Candida albicans

D. Lokwani, Sachin A. Dhawale, Madhuri Pandit, 2023, Journal of biomolecular structure & dynamics.

Design, docking study and ADME prediction of Isatin derivatives as anti-HIV agents

K. Bothara, V. Pawar, D. Lokwani, 2011, Medicinal Chemistry Research.

New amide linked dimeric 1,2,3-triazoles bearing aryloxy scaffolds as a potent antiproliferative agents and EGFR tyrosine kinase phosphorylation inhibitors.

Shailee V. Tiwari, D. Lokwani, A. Sarkate, 2019, Bioorganic & medicinal chemistry letters.

Identification of structural scaffold from interbioscreen (IBS) database to inhibit 3CLpro, PLpro, and RdRp of SARS-CoV-2 using molecular docking and dynamic simulation studies.

N. Charbe, Nikhil D. Amnerkar, S. Khadse, 2023, Journal of biomolecular structure & dynamics.

In silico screening of phytopolyphenolics for the identification of bioactive compounds as novel protease inhibitors effective against SARS-CoV-2

Atul R. Bendale, M. Soliman, M. Rudrapal, 2021, Journal of biomolecular structure & dynamics.

Novel O‐Alkylated Chromones as Antimicrobial Agents: Ultrasound Mediated Synthesis, Molecular Docking and ADME Prediction

D. Shinde, C. Gill, D. Lokwani, 2017 .

Synthesis, antimicrobial evaluation, and molecular docking studies of novel chromone based 1,2,3-triazoles

C. Gill, D. Lokwani, A. Sarkate, 2016, Research on Chemical Intermediates.

Design of potential reverse transcriptase inhibitor containing Isatin nucleus using molecular modeling studies.

K. Bothara, A. Madgulkar, V. Pawar, 2010, Bioorganic & medicinal chemistry.

3D-QSAR and docking studies of benzoyl urea derivatives as tubulin-binding agents for antiproliferative activity

D. Shinde, D. Lokwani, A. Sarkate, 2012, Medicinal Chemistry Research.

N-Benzylation of 6-aminoflavone by reductive amination and efficient access to some novel anticancer agents via topoisomerase II inhibition

D. Lokwani, A. Sarkate, S. Tiwari, 2020, Molecular Diversity.

N-Benzylation of 6-aminoflavone by reductive amination and efficient access to some novel anticancer agents via topoisomerase II inhibition

Shailee V. Tiwari, D. Lokwani, A. Sarkate, 2020, Molecular Diversity.

Quinazolin-4-one derivatives lacking toxicity-producing attributes as glucokinase activators: design, synthesis, molecular docking, and in-silico ADMET prediction

N. Charbe, Nikhil D. Amnerkar, S. Khadse, 2019, Future Journal of Pharmaceutical Sciences.

Strategic analyses to identify key structural features of antiviral/antimalarial compounds for their binding interactions with 3CLpro, PLpro and RdRp of SARS-CoV-2: in silico molecular docking and dynamic simulation studies

N. Charbe, Nikhil D. Amnerkar, S. Khadse, 2021, Journal of biomolecular structure & dynamics.

GluN2B subunit selective N-methyl-D-aspartate receptor ligands: Democratizing recent progress to assist the development of novel neurotherapeutics

S. Khadse, D. Lokwani, Prashant J. Chaudhari, 2023, Molecular diversity.

3D-QSAR and docking studies of benzoyl urea derivatives as tubulin-binding agents for antiproliferative activity

D. Shinde, D. Lokwani, A. Sarkate, 2013, Medicinal Chemistry Research.

Synthesis, biological activity and docking study of imidazol-5-one as novel non-nucleoside HIV-1 reverse transcriptase inhibitors.

D. Shinde, S. Mokale, D. Lokwani, 2012, Bioorganic & medicinal chemistry.

Design and synthesis of novel conformationally constrained 7,12-dihydrodibenzo[b,h][1,6] naphthyridine and 7H-Chromeno[3,2-c] quinoline derivatives as topoisomerase I inhibitors: In vitro screening, molecular docking and ADME predictions.

Shailee V. Tiwari, D. Lokwani, A. Sarkate, 2021, Bioorganic chemistry.