Rajarshi Shahu College of Pharmacy
Dwarka Bahuddeshiya Gramin Vikas Foundation’s

Rajarshi Shahu College of Pharmacy

At & Post – Malvihir, Buldana, 443001, M.S., India
Affiliated to Sant Gadge Baba Amravati University, Amravati | Estd. in 2012
GOLD CATEGORY IN AICTE-CII SURVEY | Approved by PCI and AICTE, New Delhi | ISO 9001:2015 Certified

Mr. Dipak Lokwani

M. Pharm, Ph.D. | Associate Professor | Department : Pharmaceutical Chemistry


Total Experience in Years

Teaching: 11  (Including Research and Teaching)

No. of Papers Published

National: 03
International: 43

Papers presented in conferences

National: 06
International: 03

Professional memberships
Grants fetched

Received ICMR Senior Research Fellowship (SRF) in year 2013-2014 

Core competency area

Computer Aided Drug Design, Synthesis of Bioactive compounds.

Books published

Other information
  • Worked as UGC Project fellow and ICMR SRF at Department of Chemical Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, Maharashtra from Feb 2010 to Dec 2014.
  • Published Books for subject Pharmaceutical Organic Chemistry (I, II and III) as per PCI Syllabus in year 2018, 2019 and 2020 with PV books (Publisher)
  • Published Books for subject Biochemistry as per PCI Syllabus in year 2021 with PV books (Publisher)
  • Ligand-Enzyme docked image selected as cover page for Journal of Heterocyclic Chemistry (Wiley Interscience) (DOI: 10.1002/jhet.3013). in Year 2017
  • Received National Prize for Short Film made for CSIR-OSDD-VP short Video Competition on Topic “The Need of New Drugs for Tuberculosis” in year 2014
  • Received Outstanding Publication Award by vLife Sciences, Pune in the field of Computer Aided Drug and Molecular Design in year 2011

Qualified GATE 2007 conducted by IIT, Kanpur with 94.08 Percentile (AIR 1079, GATE Score 413).

Publications Details:
  1. Sr. No.

    Title of Research Paper

    Name of Authors

    Name of Journal

    Year, Volume, Page No.



    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)



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

    Santosh Mokale, Deepak Lokwani,* and Abdul Mujaheed

    Curr HIV Res

    2021 (Available Online)



    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)



    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



    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



    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


    2020, 25, 1622



    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



    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)



    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)



    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)



    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)



    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



    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



    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



    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



    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



    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



    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



    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



    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



     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



    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



    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,


    2017, 22(6), 995.



    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



    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



    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



    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.



    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



    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,


    2016, 21(8), 894



    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



     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



    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



    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



    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



    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



    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



    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



    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



    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



    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



     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



    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



    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



    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



    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



    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