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Computer-aided Drug Designing with Molecular Docking, molecular dynamic analysis, ADME property calculations and make t

Profile Summary

My area of research is Structure based designing and Synthesis of different heterocyclic nucleus, Purification and characterization using various sophisticated techniques, In vitro and In vivo biological evaluation, Computer-aided Drug Designing with Molecular Docking, molecular dynamic analysis, and ADME property calculations and make them clinically appropriate. He has more than 80 papers in various reputed international journals of a very high impact factor [Cumulative Impact factor: 400; H index: 21, i10 index: 37, Citation: 3000], 08 Book Chapter, one international and one national books with international esteem publication houses. He has been awarded several awards in national and international conferences. He won several travel grants awards from IBRO-USA, IBRO-PARIS, AAIC-USA, CSIR, ICMR, DST, UGC etc.

Subject Matter Expertise

• ☆ Molecular Modeling
• ☆ Molecular Docking
• ☆ Molecular Biology

Services

• Writing
• Research

Writing General Proofreading & Editing

Research Scientific and Technical Research

Work Experience

Associate Professor

Chitkara University

July 2017 - Present

Education

PhD

Punjabi University Patiala - India

September 2013 - July 2017

Master in Pharmacy

Punjabi University Patiala - India

July 2010 - July 2012

Certifications

• Certified Trainer of Skill India under National Skill Development Corporation as a Quality Control Chemist (LFS/Q1301; Trainer Id: TR170093) by LSSSDC (Life Sciences Sector Skill Development Council)

  National Skill Development Corporation

  July 2021 - July 2023

Publications

JOURNAL ARTICLE

Manjinder Singh, Kirti Sharma, Pratibha Sharma, Sumesh C. Sharma, S. Mujwar, Mohit Kapoor, Krishna Kumar Mishra, Tanveer Ahmad Wani (2024). Design, Synthesis, and Biological Evaluation of Novel Coumarin Analogs Targeted against SARS-CoV-2 . Molecules.

Manjinder Singh, Pratibha Sharma, Varinder Singh, Dr. Thakur Gurjeet Singh, Tanveer Singh, Sheikh Fayaz Ahmad (2023). Recent Development of Novel Aminoethyl-Substituted Chalcones as Potential Drug Candidates for the Treatment of Alzheimer’s Disease . Molecules.

Manjinder Singh, Shiveena Bhatia, Pratibha Sharma, S. Mujwar, Varinder Singh, Krishna Kumar Mishra, Dr. Thakur Gurjeet Singh, Tanveer Singh, Sheikh Fayaz Ahmad (2023). Scaffold Morphing and In Silico Design of Potential BACE-1 (β-Secretase) Inhibitors: A Hope for a Newer Dawn in Anti-Alzheimer Therapeutics . Molecules.

Singh, R., Singh, M., Singh, V., Kumari, P., Chopra, H., Priyanka, Choudhary, O.P., Emran, T.B.(2023). Airport smoking zones: a prospective public health hazard . International journal of surgery (London, England). 109. (3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 568-570.

Sharma, P., Singh, M.(2023). An ongoing journey of chalcone analogues as single and multi-target ligands in the field of Alzheimer's disease: A review with structural aspects . Life Sciences. 320.

Bhuyan, M., Kaur, M., Kaushal, U., Nagpal, M., Singh, M., Aggarwal, G.(2023). Recent Avenues in Treatment of Liver Diseases: Role of Nanotechnology . Current Drug Targets. 24. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 320-331.

Bhatia, S., Singh, M., Singh, T., Singh, V.(2023). Scrutinizing the Therapeutic Potential of PROTACs in the Management of Alzheimer’s Disease . Neurochemical Research. 48. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 13-25.

Jindal, M., Kaur, M., Nagpal, M., Singh, M., Aggarwal, G., Dhingra, G.A.(2023). Skin Cancer Management: Current Scenario And Future Perspectives . Current Drug Safety. 18. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 143-158.

Puri, V., Nagpal, M., Singh, I., Singh, M., Dhingra, G.A., Huanbutta, K., Dheer, D., Sharma, A., Sangnim, T.(2022). A Comprehensive Review on Nutraceuticals: Therapy Support and Formulation Challenges . Nutrients. 14. (21).

Singh, V., Sood, A., Pruthi, S., Singh, M., Saini, B., Singh, T.G., Kumar, A.(2022). Chemical Constituents and Biological Activities of Cordia myxa L.: A Review . Natural Products Journal. 12. (2).

Mannan, A., Singh, T.G., Singh, V., Garg, N., Kaur, A., Singh, M.(2022). Insights into the Mechanism of the Therapeutic Potential of Herbal Monoamine Oxidase Inhibitors in Neurological Diseases . Current Drug Targets. 23. (3). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 286-310.

Bhatia, S., Rawal, R., Sharma, P., Singh, T., Singh, M., Singh, V.(2022). Mitochondrial Dysfunction in Alzheimer’s Disease: Opportunities for Drug Development . Current Neuropharmacology. 20. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 675-692.

Musyuni, P., Nagpal, M., Singh, M., Goyal, R.K., Aggarwal, G.(2022). Nanotechnology Enabled Solutions to Combat Covid-19: Prevention, Treatment, and Diagnosis . Current Pharmaceutical Biotechnology. 23. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 98-111.

Bhargava, S.K., Singh, T.G., Mannan, A., Singh, S., Singh, M., Gupta, S.(2022). Pharmacological evaluation of Thuja occidentalis for the attenuation of neuropathy via AGEs and TNF-α inhibition in diabetic neuropathic rats . Environmental Science and Pollution Research. 29. (40). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 60542-60557.

Singh, T., Thapliyal, S., Bhatia, S., Singh, V., Singh, M., Singh, H., Kumar, A., Mishra, A.(2022). Reconnoitering the transformative journey of minocycline from an antibiotic to an antiepileptic drug . Life Sciences. 293.

Singh, V., Kaur, K., Kaur, S., Shri, R., Singh, T.G., Singh, M.(2022). Trimethoxyflavones from Ocimum basilicum L. leaves improve long term memory in mice by modulating multiple pathways . Journal of Ethnopharmacology. 295.

Sharma, P., Singh, M., Mathew, B.(2021). An Update of Synthetic Approaches and Structure-Activity Relationships of Various Classes of Human MAO-B Inhibitors . ChemistrySelect. 6. (7). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1404-1429.

Singh, S., Singh, T.G., Singh, M., Najda, A., Nurzyńska-Wierdak, R., Almeer, R., Kamel, M., Abdel-Daim, M.M.(2021). Anticonvulsive effects of chondroitin sulfate on pilocarpine and pentylenetetrazole induced epileptogenesis in mice . Molecules. 26. (22).

Katoch, A., Nagpal, M., Kaur, M., Singh, M., Aggarwal, G., Dhingra, G.A.(2021). Development and characterization of lbg-pva interpenetrating networks incorporating gliclazide for sustained release . Current Drug Therapy. 16. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 54-63.

Singh, M., Sharma, P., Arora, S.(2021). Development of 1,2,3,4-tetrahydrocarbazole derivatives as dual binding cholinestarse inhibitors . Alzheimer's and Dementia. 17. (S9).

Kaur, M., Nagpal, M., Singh, M., Singh, T.G., Aggarwal, G., Dhingra, G.A.(2021). Improved antibacterial activity of topical gel-based on nanosponge carrier of cinnamon oil . BioImpacts. 11. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 23-31.

Grewal, A.K., Singh, T.G., Sharma, D., Sharma, V., Singh, M., Rahman, M.H., Najda, A., Walasek-Janusz, M., Kamel, M., Albadrani, G.M., et al.(2021). Mechanistic insights and perspectives involved in nfeuroprotective action of quercetin . Biomedicine and Pharmacotherapy. 140.

Pathak, D., Choudhary, S., Singh, P.K., Singh, M., Chadha, N., Silakari, O.(2021). Pharmacophore-based designing of putative ROS-1 targeting agents for NSCLC . Molecular Diversity. 25. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1091-1102.

Bakshi, H., Nagpal, M., Singh, M., Dhingra, G.A., Aggarwal, G.(2021). Propitious profile of peppery piperine . Current Molecular Pharmacology. 14. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 477-486.

Arora, P., Singh, M., Singh, V., Bhatia, S., Arora, S.(2021). Protacs in treatment of cancer: A review . Mini-Reviews in Medicinal Chemistry. 21. (16).

Singh, S., Singh, T.G., Rehni, A.K., Sharma, V., Singh, M., Kaur, R.(2021). Reviving mitochondrial bioenergetics: A relevant approach in epilepsy . Mitochondrion. 58. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 213-226.

Adhikari, S., Singh, M., Sharma, P., Arora, S.(2021). Pyrazolones as a potential anticancer scaffold: Recent trends and future perspectives . Journal of Applied Pharmaceutical Science. 11. (Supplement 1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 26-37.

Verma, R., Nagpal, M., Singh, T.G., Singh, M., Aggarwal, G.(2020). Improved efficacy of lovastatin from soluplus-peg hybrid polymer-based binary dispersions . Current Bioactive Compounds. 16. (8). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1164-1171.

Kaur, M., Nagpal, M., Singh, M.(2020). Osteoblast-n-osteoclast: Making headway to osteoporosis treatment . Current Drug Targets. 21. (16). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1640-1651.

Deepika, Singh, R., Singh, T.G., Singh, M., Saini, B., Kaur, R., Arora, S., Singh, R.(2020). Status of E-pharmacies in India: A review . Plant Archives. 20. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3763-3767.

Kaur, M., Devi, G., Nagpal, M., Singh, M., Dhingra, G.A., Aggarwal, G.(2020). Antiviral essential oils incorporated in nanocarriers: Strategy for prevention from covid-19 and future infectious pandemics . Pharmaceutical Nanotechnology. 8. (6). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 437-451.

Singh, M., Sharma, P., Singh, P.K., Singh, T.G., Saini, B.(2020). Medicinal potential of heterocyclic compounds from diverse natural sources for the management of cancer . Mini-Reviews in Medicinal Chemistry. 20. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 942-957.

Vyas, B., Choudhary, S., Singh, P.K., Kumar, M., Verma, H., Singh, M., Malik, A.K., Silakari, O.(2020). Search for non-acidic ALR2 inhibitors: Evaluation of flavones as targeted agents for the management of diabetic complications . Bioorganic Chemistry. 96.

Singh, M., Nagpal, M., Singh, V., Sharma, A., Dhingra, G.A., Maman, P., Puri, V.(2020). COVID-19: Epidemiology, pathogenicity and global updates . International Journal of Applied Pharmaceutics. 12. (5). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 16-28.

Puri, V., Nagpal, M., Sharma, A., Thakur, G.S., Singh, M., Aggarwal, G.(2020). Development of binary dispersions and nanocomposites of irbesartan with enhanced antihypertensive activity . BioImpacts. 10. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 269-278.

Jindal, M., Nagpal, M., Singh, M., Aggarwal, G., Dhingra, G.A.(2020). Gold nanoparticles-boon in cancer theranostics . Current Pharmaceutical Design. 26. (40). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 5134-5151.

Singh, M., Sharma, P., Joshi, P., Saini, K., Sharma, A., Puri, V., Chander, J., Singh, T.G., Arora, S.(2020). Review article chalcones: A privileged scaffold with diverse biological activities . Plant Archives. 20. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3812-3819.

Bakshi, H., Nagpal, M., Singh, M., Dhingra, G.A., Aggarwal, G.(2020). Treatment of psoriasis: A comprehensive review of entire therapies . Current Drug Safety. 15. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 82-104.

Deepika, Arora, S., Kaur, R., Singh, T.G., Singh, M., Satija, S., Singh, R.(2019). Prescribing pattern of antihypertensive drugs in a tertiary care hospital: A review . Plant Archives. 19. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1311-1316.

Singh, M., Saini, B., Singh, T.G., Chander, J., Satija, S., Arora, S.(2019). Design, synthesis and biological evaluation of chalcone based compounds in Alzheimer's disease . Plant Archives. 19. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1317-1322.

Garg, N., Kaur, K., Singh, T.G., Singh, M., Jaura, R.K., Sharma, M., Munawar, A., Haque, A.(2019). Driving digital transformation using mHealth in clinical research: Bridging the gap to true patient centricity . Plant Archives. 19. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1336-1341.

Arora, A., Aggarwal, G., Singh, T.G., Singh, M., Arora, G., Nagpal, M.(2019). Inclusion complexes of atorvastatin calcium-sulfobutyl ether β cyclodextrin with enhanced hypolipidemic activity . Journal of Applied Pharmaceutical Science. 9. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 60-68.

Dhingra, G.A., Kaur, M., Singh, M., Aggarwal, G., Nagpal, M.(2019). Lock stock and barrel of wound healing . Current Pharmaceutical Design. 25. (38). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4090-4107.

Arti, Kaur, A., Singh, M., Arora, S., Dhiman, S., Satija, S., Singh, T.G.(2019). Pharmacotherapy of amyotrophic lateral sclerosis: An insight . Plant Archives. 19. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1385-1397.

Singh, M., Kaur, M., Singh, N., Silakari, O.(2018). Corrigendum to “Exploration of multi-target potential of chromen-4-one based compounds in Alzheimer's disease: Design, synthesis and biological evaluations” [Bioorg. Med. Chem. 25 (2017) 6273–6285](S0968089617309355)(10.1016/j.bmc.2017.09.012) . Bioorganic and Medicinal Chemistry. 26. (14). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 4360-4361.

Kaur, M., Singh, P.K., Singh, M., Bahadur, R., Silakari, O.(2018). Molecular dynamics and integrated pharmacophore-based identification of dual JAK3/PI3K δ inhibitors . Molecular Diversity. 22. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 95-112.

Vyas, B., Choudhary, S., Singh, P.K., Singh, A., Singh, M., Verma, H., Singh, H., Bahadur, R., Singh, B., Silakari, O.(2018). Molecular dynamics/quantum mechanics guided designing of natural products based prodrugs of Epalrestat . Journal of Molecular Structure. 1171. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 556-563.

Singh, M., Kaur, M., Vyas, B., Silakari, O.(2018). Design, synthesis and biological evaluation of 2-Phenyl-4H-chromen-4-one derivatives as polyfunctional compounds against Alzheimer’s disease . Medicinal Chemistry Research. 27. (2). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 520-530.

Singh, M., Kaur, M., Singh, N., Silakari, O.(2017). Exploration of multi-target potential of chromen-4-one based compounds in Alzheimer's disease: Design, synthesis and biological evaluations . Bioorganic and Medicinal Chemistry. 25. (24). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 6273-6285.

Kaur, M., Singh, M., Silakari, O.(2017). Oxindole-based SYK and JAK3 dual inhibitors for rheumatoid arthritis: Designing, synthesis and biological evaluation . Future Medicinal Chemistry. 9. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 1193-1211.

Singh, M., Kaur, M., Chadha, N., Silakari, O.(2016). Hybrids: a new paradigm to treat Alzheimer’s disease . Molecular Diversity. 20. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 271-297.

Singh, M., Silakari, O.(2016). Design, synthesis and biological evaluation of novel 2-phenyl-1-benzopyran-4-one derivatives as potential poly-functional anti-Alzheimer's agents . RSC Advances. 6. (110). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 108411-108422.

Vyas, B., Singh, M., Kaur, M., Silakari, O., Bahia, M.S., Singh, B.(2016). Pharmacophore and docking-based hierarchical virtual screening for the designing of aldose reductase inhibitors: Synthesis and biological evaluation . Medicinal Chemistry Research. 25. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 609-626.

Kaur, M., Singh, M., Chadha, N., Silakari, O.(2016). Oxindole: A chemical prism carrying plethora of therapeutic benefits . European Journal of Medicinal Chemistry. 123. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 858-894.

Vyas, B., Singh, M., Kaur, M., Bahia, M.S., Jaggi, A.S., Silakari, O., Singh, B.(2015). Aldose reductase inhibitors for diabetic complications: Receptor induced atom-based 3D-QSAR analysis, synthesis and biological evaluation . Journal of Molecular Graphics and Modelling. 59. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 59-71.

Singh, M., Kaur, M., Silakari, O.(2014). Flavones: An important scaffold for medicinal chemistry . European Journal of Medicinal Chemistry. 84. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 206-239.

Mehta, N., Kaur, M., Singh, M., Chand, S., Vyas, B., Silakari, P., Bahia, M.S., Silakari, O.(2014). Purinergic receptor P2X₇: A novel target for anti-inflammatory therapy . Bioorganic and Medicinal Chemistry. 22. (1). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 54-88.

Kaur, M., Singh, M., Silakari, O.(2014). Insight into the therapeutic aspects of 'Zeta-Chain Associated Protein Kinase 70kDa' inhibitors: A review . Cellular Signalling. 26. (11). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2481-2492.

Kaur, M., Singh, M., Silakari, O.(2013). Inhibitors of switch kinase 'spleen tyrosine kinase' in inflammation and immune-mediated disorders: A review . European Journal of Medicinal Chemistry. 67. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 434-446.

Singh, M., Kaur, M., Kukreja, H., Chugh, R., Silakari, O., Singh, D.(2013). Acetylcholinesterase inhibitors as Alzheimer therapy: From nerve toxins to neuroprotection . European Journal of Medicinal Chemistry. 70. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 165-188.

Jaggi, A.S., Singh, M., Sharma, A., Singh, D., Singh, N.(2007). Cardioprotective effects of mast cell modulators in ischemia-reperfusion- induced injury in rats . Methods and Findings in Experimental and Clinical Pharmacology. 29. (9). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 593-600.

OTHER

Bhatia, S., Sharma, P., Mujwar, S., Singh, M.(2022). Scaffold morphing and in-silico studies of potential BACE1 (β-secretase) inhibitors: A hope for newer dawn in anti-Alzheimer therapeutics . Research Square.

Sharma, P., Singh, M., Bansal, Y.(2020). Novel Xanthoxyline Derivatives As Potential Anti-Arthritic Agents: Design, Synthesis and Biological Evaluation . SSRN.

BOOK CHAPTER

Nagpal, M., Kaur, M., Singh, M., Aggarwal, G.(2021). Nanomaterials to overcome emergence and re-emergence of superbugs: Nanoarsenals for superbugs . Strategies to Overcome Superbug Invasions: Emerging Research and Opportunities. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 227-268.

Singh, R., Garg, N., Syal, P., Sood, S., Rani, M., Kaur, K., Singh, M., Saini, B.(2021). Quality of life (QOL) in diabetes mellitus . Diabetes and Diabetic Complications: Current Status and Future Prospective. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 463-469.

Mathew, B., Parambi, D.G.T., Singh, M., Hendawy, O.M., Al-Sanea, M.M., Bakr, R.B.(2020). Protopine . Naturally Occurring Chemicals against Alzheimer’s Disease. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 167-174.

Singh, M., Silakari, O.(2018). Flavone: An Important Scaffold for Medicinal Chemistry . Key Heterocycle Cores for Designing Multitargeting Molecules. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 133-174.