Dr. Dipak Lokwani

Sr. No.

Title of Research Paper

Name of Authors

Name of Journal

Year, Volume, Page No.

IF

1

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

Ashish M. Dhote , Vikas R. Patil, Deepak K. Lokwani, Nikhil D. Amnerkar, Vinod G. Ugale, Nitin B. Charbe, Bhoomendra A. Bhongade and Saurabh C. Khadsea

J. Biomol. Struct. Dyn.

2021 (Available Online)

3.31

2

Pyridine/Pyrimidine Substituted Imidazol-5-one Analogs as HIV-1 RT Inhibitors: Design, Synthesis, Docking and Molecular Dynamic Simulation
Studies

Santosh Mokale, Deepak Lokwani,* and Abdul Mujaheed

Curr HIV Res

2021 (Available Online)

1.58

3

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

Mithun Rudrapal, Abdul Rashid Issahaku, Clement Agoni, Atul R. Bendale,
Akhil Nagar, Mahmoud E. S. Soliman, Deepak Lokwani

J. Biomol. Struct. Dyn.

2021 (Available Online)

3.31

4

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

Aniket P. Sarkate*, Vidya S. Dofe, Shailee V. Tiwari, Deepak K. Lokwani*, Kshipra S. Karnik, Darshana D. Kamble, Mujahed H.S.H. Ansari  Suneel Dodamani, Sunil S. Jalalpure, Jaiprakash N. Sangshetti, Rajaram Azad, Prasad V.L.S. Burra, Shashikant V. Bhandari

Bioorg. Med. Chem.

2021, 40,127916

2.823

5

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

Ramakant A. Kardile, Aniket P. Sarkate, Avinash S. Borude, Rajendra S. Mane,
Deepak K. Lokwani, Shailee V. Tiwari, Rajaram Azad, Prasad V.L.S. Burra,
Shankar R. Thopate

Bioorg. Chem.

2021, 115, 105174

5.275

6

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

Deepak K. Lokwani, Aniket P. Sarkate, Kshipra S. Karnik, Anna Pratima G. Nikalje  and Julio A. Seijas

Molecules

2020, 25, 1622

4.411

7

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

Vidya S. Dofe, Aniket P. Sarkate, Shailee V. Tiwari, Deepak K. Lokwani, Kshipra S. Karnik,
Ishwari A. Kale, Suneel Dodamani, Sunil S. Jalalpure,f, Prasad V.L.S. Burra

Bioorg. Med. Chem. Lett.

30 (2020) 127592

2.823

8

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

Harun Patel, Iqrar Ahmad, Harsha Jadhav, Rahul Pawara, Deepak Lokwani and Sanjay Surana

Comb. Chem. High Throughput Screen

2020 (Available Online)

1.339

9

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

KS Karnik, AP Sarkate, DK Lokwani, IS Narula, PVLS Burra, PS Wakte

J. Biomol. Struct. Dyn.

2020 (Available Online)

3.31

10

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)

HM Patel, M Shaikh, I Ahmad, D Lokwani, SJ Surana

J. Biomol. Struct. Dyn.

2020 (Available Online)

3.31

11

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

Nitin M. Thorat, Aniket P. Sarkate, Deepak K. Lokwani, Shailee V. Tiwari, Rajaram Azad & Shankar R. Thopate

Molecular Diversity

2020 (Available Online)

2.943

12

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

Saurabh C. Khadse Nikhil D. Amnerkar, Krushna S. Dighole, Ashish M.Dhote, Vikas R.Patil, Deepak K. Lokwani, Vinod G.Ugale, Nitin B.Charbe, Vivekanand A. Chatpalliwar

J. Mol. Struct.

2020, 1222, 128916

3.196

13

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

Rohini N. Shelke, Dattatraya N. Pansare, Aniket P. Sarkate, Ishudeep K. Narula, Deepak K. Lokwani, Shailee V. Tiwari, Rajaram Azad, Shankar R. Thopate

Bioorg. Med. Chem. Lett.

2020, 30, 127246

2.823

14

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

Saurabh B. Ganorkara, Yvan Vander Heyden, Atul A. Shirkhedkar, Deepak K. Lokwani, Dinesh M. Dhumal, Preeti S. Bobade

J. Pharma. Biomed. Anal.

 2020, 179, 112982

3.935

15

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

Saurabh C. Khadse, Nikhil D. Amnerkar , Manasi U. Dave, Deepak K. Lokwani, Ravindra R. Patil, Vinod G. Ugale, Nitin B. Charbe and Vivekanand A. Chatpalliwar

Future J. Pharma. Sci.

2019, 5, 11

0

16

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

TR Deshmukh, AP Sarkate, DK Lokwani, SV Tiwari, R Azad, BB Shingate,

Bioorg. Med. Chem. lett.

2019, 19, 126618

2.823

17

Caesalpinia pulcherrima arrests cell cycle and triggers reactive oxygen species-induced mitochondrial-mediated apoptosis and necroptosis via modulating estrogen and estrogen receptors.

 NS Sakle, D Lokwani, SN Mokale

Pharmacognosy Magazine

2019, 15 (64), 288

1.085

18

A new efficient domino approach for the synthesis of coumarin-pyrazolines as antimicrobial agents targeting bacterial D-alanine-D-alanine ligase.

Asha V. Chate, Ankita A. Redlawar,  Giribala M. Bondle,  Aniket P. Sarkate,  Shailee V. Tiwari  and  Deepak K. Lokwani,

New J. Chem.

2019, 43, 9002-9011

3.591

19

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.

 M Bhosle, LD Khillare, JR Mali, A Sarkate, DK Lokwani, SV Tiwari,

New J. Chem.

2018, 42, 18621

3.591

20

Design, Synthesis and Anti-breast Cancer Activity of Some Novel Substituted Isoxazoles as Anti-breast Cancer Agent.

Santosh N Mokale, Nikhil S Sakle, Swati A Bhavale, Deepak K Lokwani, Vishakha Shelke.

Anti-Cancer Agents in Med. Chem.

2018, 18 (7), 1009-1015

2.505

21

 Synthesis, Biological Evaluation and Computational Study of New Quinoline Hybrids as Antitubercular Agent,

Z Zaheer, SI Shaikh, SN Mokale, DK Lokwani,

Lett. Drug Des. Discov.

2018, 15 (9), 914-922

1.15

22

Synthesis, Biological Evaluation, Molecular Docking Study and Acute Oral Toxicity Study of Coupled Imidazole-Pyrimidine Derivatives,

Shailee V. Tiwari, Anna P.G. Nikalje, Deepak K. Lokwani, Aniket P. Sarkate, Kizukala Jamir.

Lett. Drug Des. Discov.

2018, 15(5), 475-487

1.15

23

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, Sumaiya Siddiqui, Julio A. Seijas , M. Pilar Vazquez-Tato, Aniket P. Sarkate, Deepak K. Lokwani and Anna Pratima G. Nikalje,

Molecules

2017, 22(6), 995.

4.411

24

Novel 2-(nitrooxy)ethyl 2-(4-(substituted phenyl)-2-((substituted phenyl)amino)thiazol-5-yl)acetate as Anti-inflammatory, Analgesic and Nitric Oxide Releasing Agents: Synthesis and Molecular Docking Studies

Aniket P. Sarkate, Deepak K. Lokwani, Kshipra S. Karnik and Devanand B. Shinde

Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry

2017, 16, 153-167

0

25

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

VS Dofe, AP Sarkate, DK Lokwani, DB Shinde, SH Kathwate, CH Gill

 J. Hetero. Chem.

2017, 54 (5), 2678-2685

1.484

26

Development of New Pyrazole Hybrids As Antitubercular Agents: Synthesis, Biological Evaluation And Molecular Docking Study

Sameer I. Shaikh, Zahid Zaheer, Santosh N. Mokale, Deepak K. Lokwani

Int. J. Pharm. Pharm. Sci.

Vol 9, Issue 11, 50-56

0

27

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

William Doherty, Nikoletta Adler, Andrew Knox, Derek Nolan, Joanna McGouran, Anna Pratima Nikalje, Deepak Lokwani, Aniket Sarkate,  and Paul Evans,

Eur. J. Org. Chem.

2017, 2017, 175–185.

2.889

28

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

Vidya S. Dofe, Aniket P. Sarkate, Deepak K. Lokwani, Santosh H. Kathwate,  Charansingh H. Gill

Res Chem Intermed

2017, 43, 15-28

2.262

29

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)pyrimi-dine-6-carbonitrile derivatives as anticancer agents,

Shailee V. Tiwari, Julio A. Seijas, M. Pilar Vazquez-Tato, Aniket P. Sarkate, Deepak K. Lokwani and Anna Pratima G. Nikalje,

Molecules

2016, 21(8), 894

3.267

30

Design of selective TACE inhibitors using molecular docking studies: Synthesis and preliminary evaluation of anti-inflammatory and TACE inhibitory activity,

A.P. Sarkate, P.R. Murumkar, D.K. Lokwani, A.D. Kandhare, D.B. Shinde,  K.G. Bothara,

SAR QSAR Environ Res.

2015, 26, 905

2.053

31

 Synthesis and docking studies of 2-(nitrooxy) ethyl-4-(2-(substitutedphenyl)-4-(substitutedphenyl)-1h-imidazol-1-yl)benzoate as anti-inflammatory, analgesic and nitric oxide releasing agents,

Aniket P. Sarkate, Deepak K. Lokwani, Sushilkumar S. Bahekar, Devanand B. Shinde,

Int. J. Pharm. Pharmaceut. Sci.

2015, 7, 197

0

32

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

Deepak Lokwani, Rajaram Azad, Aniket Sarkate, Pallu Reddanna, Devanand Shinde,

Bioorg. Med. Chem.

2015, 23, 4533

3.073

33

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

Jaiprakash N. Sangshetti, Deepak K. Lokwani, Rashmi S. Chouthe, Bhuvan Raval, Firoz A. Kalam Khan, Devanand B. Shinde

Med. Chem. Res.

2014, 23, 4893

1.783

34

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

Santosh Mokale, Deepak Lokwani, Devanand Shinde

Med. Chem. Res.

2014, 23, 3752

1.783

35

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

Deepak Lokwani, Santosh Mokale, Devanand Shinde

Eur. J. Med. Chem.

2014, 73, 233

5.572

36

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

Deepak K. Lokwani, Aniket P. Sarkate, Devanand B. Shinde

Med. Chem. Res.

2013, 22, 1415

1.783

37

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

Deepak Lokwani, Reecha Shah, Santosh Mokale, Padma Shastry, Devanand Shinde

J. Comput. Aided Mol. Des.

2012, 26, 267

2.546

38

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

Santosh N. Mokale, Deepak Lokwani, Devanand B. Shinde

Bioorg. Med. Chem.

2012, 20, 3119

3.073

39

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

 Jaiprakash N. Sangshetti, Deepak K. Lokwani,  Aniket P. Sarkate, Devanand B. Shinde

Chem. Biol. Drug. Design

2011, 75, 800-809

2.548

40

Synthesis and evaluation of anti-inflammatory, analgesic, ulcerogenicity and nitric oxide-releasing studies of novel ibuprofen analogs as nonulcerogenic derivatives

Aniket P. Sarkate, Deepak K. Lokwani, Ajit A. Patil, Shashikant V. Bhandari and Kailash G. Bothara

 Med. Chem. Res

2011, 20, 795-808

1.783

41

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

Deepak Lokwani,  Shashikant Bhandari, Radha Pujari, Padma Shastri, Ganesh shelke, Vidya Pawar

 J. Enz. Inhibit. Med. Chem.

2011, 26, 319-331

4.673

42

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

Vidya S. Pawar, Deepak K. Lokwani, Shashikant V. Bhandari, Kailash G. Bothara, Trupti S. Chitre, Titiksh L. Devale, Nileema S. Modhave, Jignesh K. Parikh

Med. Chem. Res.

2011, 20, 370-380

1.783

43

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

Vidya Pawar, Deepak Lokwani, Shashikant Bhandari, Debashis Mitra, Sudeep Sabde, Kailash Bothara, Ashwini Madgulkar

Bioorg. Med. Chem.

 2010, 18, 3198-3211

3.073

44

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

Shashikant V. Bhandari, Jignesh K. Parikh, Kailash G. Bothara, Trupti S. Chitre, Deepak K. Lokwani, Titiksh L. Devale, Nileema S. Modhave, Vidya S. Pawar, Santosh Panda

 J. Enz. Inhibit. Med. Chem.

 2010, 25, 520-530

4.673

45

Design of New Chemicals Entities as Selective COX–2 Inhibitors using Structure Optimization by Molecular Modeling Studies

Shashikant Bhandari, Kailash Bothara, Vidya Pawar, Deepak Lokwani, Titiksh Devale

 Int. Elect. J. Mol. Design.

2009, 8, 14–28

0

46

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

Shashikant V. Bhandari, Sudarshan C. Dangre, Kailash G. Bothara, Ajit A. Patil, Aniket P. Sarkate, Deepak K. Lokwani, Suraj T. Gore, Bhavana J. Deshmane, Vyankatesh T. Raparti, Chetan V. Khachane

Eur. J. Med. Chem.

2009, 44, 2009, 4622-4636

5.572