WAGH SANDIP NARAYAN

EDUCATION

M. Pharm., Ph. D.

RESEARCH, TEACHING, or OTHER INTERESTS

Organic Chemistry, Cancer Research, Analytical Chemistry, Spectroscopy

Scopus Publications

Design, Docking, In silico ADME Prediction of Novel 2-substituted-5- hydroxy-1-(1-methyl-3-morpholinopropyl)-1H-indole-3-carboxamide Derivatives for Estrogen Receptor Alfa in AF-2 Domain for Effective Anticancer Treatment
Sandip Narayan Wagh, Vivekanand Arvind Chatpalliwar
Letters in Drug Design and Discovery, 2023
Aim: The present work has been designed to discover some novel 2-substituted -5-hydroxy-1- (1-methyl-3-morpholinopropyl)-1H-indole-3-carboxamide derivatives and their screening through computational molecular docking. Background: The present manuscript describes designing novel 2-substituted-5-hydroxy-1-(1-methyl-3- morpholinopropyl)-1H-indole-3-carboxamide derivatives as specific ERα modulators, discusses the selection criteria for 1ERR, several interactions between the ligand and the amino acid residues that would probably elicit fruitful modulation of the receptor. Accordingly, a ligand was observed to yield a G Score of -10. 390, which was considered close and comparable with the standard ligand Raloxifene (-11.869). Objective: Synthesize a few indole -3-carboxamide derivatives and test their ability to modulate ER-α through human cell line cultures for breast cancer. The present manuscript describes the designing of novel 2-substituted -5-hydroxy-1-(1-methyl-3-morpholinopropyl)-1H-indole-3-carboxamide derivatives as specific ERα modulators, discusses the selection criteria for 1ERR, several interactions between the ligand and the amino acid residues that would probably elicit fruitful modulation of the ER-alpha in the treatment of breast cancer. Methods: This work involved designing a few 2-substituted-5-hydroxy-1-(1-methyl-3- morpholinopropyl)-1H-indole-3-carboxamide derivatives and their virtual screening for receptor modulation by carrying molecular docking studies to determine the binding interactions for best-fit conformations in AF-2 binding site of the ERα receptor, and ADME predictions by Quick Prop Tools. Those ligands that displayed satisfactory docking were selected for further studies. These revealed all-important functional groups that interact with active amino acid residues in the targeted cavity, substantiating their presence in molecules to elicit the desired response whence tested in vitro. Results: Based on the docking studies of the designed derivatives, ligands BD59, BD60, BD65, BD58, BD64 BD61, BD54, BD32, BD48 and BD45 have shown better binding energy than the rest and were comparable with the interactions shown by the standard, Raloxifene. The observed results lamented the presence of a substitution at the C-2 position of indole scaffold, either straight or branched with terminal atom containing non-bonding electrons (halo/-NH2). Accordingly, ligand BD59 carrying chlorobenzene chain (G Score= -10.390), whereas BD60 carrying flurobenzene chain (G Score = -10.204), whereas BD65 carrying methylbenzene chain (G Score = -9.863) were found to interact suitably with the active amino acid residues in the targeted cavity that are reported to be involved in interaction with the standard. Conclusion: From the present results, we conclude that designed derivatives have the potential to modulate ERα receptors effectively, which can be synthesized and tested for their effectiveness, in vitro and in vivo against breast cancer.
Design, docking, MD simulation and in-silco ADMET prediction studies of novel indolebased benzamides targeting estrogen receptor alfa positive for effective breast cancer therapy
Bhagyashri J. Warude, Sandip N. Wagh, Vivekanda A. Chatpalliwar, Merve Yildirim, Ismail Celik, Mithun Rudrapal, Johra Khan, Sampath Chinnam, Aniket A. Garud, Vishnu S. Neharkar
Pharmacia, 2023
Breast cancer is one of the most common malignancies in women, afflicting millions of lives each year. Our current study suggests that the development of the most promising 7-substituted -1-(4-(piperidine-1-yl methoxy)benzyl)-1H-indole-3-carboxamide derivatives results in potent anticancer agents through in-silico investigations. The molecular docking was performed against estrogen receptor alpha (ER-α) positive (PDB ID: 3UUD) of breast cancer cells to anticipate the binding modes of the designed compounds and the likely mode of action. The interactions between the ligands and amino acid residues were thoroughly elucidated. The stability of the docked protein-ligand complexes was further confirmed by 100 ns molecular simulations methods. From in-silico studies, indole-based benzamides exhibited satisfactory physicochemical, drug-likeness and toxicity properties. To conclude, the most promising substituted benzamide analogs on the indole ring could serve as a possible modulator against ER-α positive breast cancer.
The systemic study of various vaccines in term of current status of clinical trial, Safety and effectiveness of covid vaccine
B J Warude
Journal of Medical Pharmaceutical and Allied Sciences, 2021
Industries leading the experiment and clinical trial of various vaccines to approve effectiveness and safety on humans. Several of them were documentation for a patent, authorization of clinical trial and marketing. In the review study, we provide an overview of Covid-19, types of vaccine and mechanism of action. Consider the reference of the mechanism of actions such as an inactivated vaccine, vector vaccines, DNA and RNA based vaccine and antiviral drugs already entered in (Phase II and III) clinical trials. The systemic study quantified a summary of various vaccines in the form of the present status of clinical trial, safety and effectiveness according to ICH E6 (R2) guidelines. Due to leading adverse interaction with their toxicity study, the inventor may face challenges during the post-marketing clinical trial. The genuine information allows upcoming scientists to improve the quality, and minimize the adverse effects and avoid resistance power for developing newer drugs.

RECENT SCHOLAR PUBLICATIONS

Formulation and Evaluation of Ashwagandha Hard Candy Lozenges for Reducing Anxiety
VC Dr. Sandip Wagh, Nikita Sonawane, Nikhil Shinde, Ashwini Kshirsagar ...
Int. J. of Pharm. Sci. 3 (7), 3623-3629 , 2025
2025.0
Analytical Detection of Water Quality Parameters Using Flame Photometry, pH Measurement, and Conductivity Analysis
DCU Dr. Sandip Wagh*, Nikhil Shinde, Nikita Sonavane, Pranjal Tak, Dipali ...
Int. J. of Pharm. Sci. 3 (5), 3558-3565 , 2025
2025.0
Exploring The Therapeutic Potential Of Banaba Extract On Immobilized Restrainer Induced Stress Model In Mice
CU Ashvini Kshirsagar*, Sandip Wagh, Swati Jadhav, Aman Upaganlawar
INTERNATIONAL JOURNAL OF PHARMACEUTICAL SCIENCES 2 (6), 1345-1359 , 2024
2024.0
Design, docking, MD simulation and in-silco ADMET prediction studies of novel indole-based benzamides targeting estrogen receptor alfa positive for effective breast cancer therapy
NVS 1) Wagh SN, Warude BJ, Chatpalliwar VA, Yildirim M, Celik I, Rudrapal M ...
Pharmacia 70 (2), 307-316 , 2023
2023.0
Design synthesis and screening of anti proliferative potential of some selective estrogen receptor modulator
SN Wagh
SNJBs Shriman Sureshdada Jain College of Pharmacy,Nashik , 2023
2023.0
Design, Docking, In silico ADME Prediction of Novel 2-substituted-5-hydroxy-1-(1-methyl-3-morpholinopropyl)-1H-indole-3-carboxamide Derivatives for Estrogen Receptor Alfa in AF …
SN Wagh, VA Chatpalliwar
Letters in Drug Design & Discovery 20 (8), 1066-1085 , 2023
2023.0
Design, docking, MD simulation and in-silco ADMET prediction studies of novel indolebased benzamides targeting estrogen receptor alfa positive for effective breast cancer therapy
JW Bhagyashri, NW Sandip, AC Vivekanda, Y Merve, R Mithun, K Johra, ...
Pharmacia 70 (2), 307-316 , 2023
2023.0
Citations: 10
Design, Docking, Insilco ADME Prediction Of Novel Indole Based Benzamide Scaffolds Targeting For Estrogen Receptor Alfa In Af-2 Domain For Effective Anticancer Treatment
DRMDAAG B. J. Warude1,2 , Dr. V. A. Chatpalliwar*3, S. N. Wagh1, Dr. V. S ...
Journal of Pharmaceutical Negative Results 13 (5), 2662-2680 , 2022
2022.0
Mucormycosis: Review on the basis of Diagnosis Treatment, Preventive Measures, and Recent Research Approach
SNW Warude Bhagyashri1, Gugale Prachi2,*, Jadhav Manasi3, Garud Aniket4 ...
STM Journal 10 (3), 51-62 , 2021
2021.0
The systemic study of various vaccines in term of current status of clinical trial, Safety and effectiveness of covid vaccine
SNW Warude B J1 , Bamb Y R1*, Bamb P R1, Walode S.G1
Jour. of Med. P’ceutical & Allied. Sci. 10 (I 6), 3973-3977 , 2021
2021.0
Citations: 1
Computational Molecular Docking Studies to Design Novel 2, 3-Substituted- 1-(4-(Piperidin-1-yl) butyl)-1H-indol-5-ol Derivatives for Estrogen Receptor Alfa in AF-2 Domain.
VAC S.N. Wagh1,*
STM Journal 12 (3), 15-49 , 2021
2021.0
PHARMACOPHORE BASED MODELLING OF PYRIDINE-PYRIMIDINE ANALOGS AS MER TYROSINE KINASES INHIBITORS IN ANTICANCER THERAPY
SWV Wagh
Int J Pharm Sci & Res 12 (11), 5905-15 , 2021
2021.0
Virtual Screening of Novel 2-substituted -5-hydroxy-1-(2- methyl-3-morpholinopropyl)-1H-indole-3-carboxamide Derivatives for Estrogen Receptor alpha in AF-2 domain for …
VAC S.N. Wagh, B.J. Warude
STM Journal 12 (2), 31-55 , 2021
2021.0
SELECTIVE ESTROGEN RECEPTOR MODULATORS IN TREATMENT OF BREAST CANCER
VAC B.J. Warude 1* , S. N. Wagh 2
The International journal of analytical and experimental modal analysis 13 … , 2021
2021.0
Design synthesis and screening of anti proliferative potential of some selective estrogen receptor modulator
WS Narayan
Pune , 0

MOST CITED SCHOLAR PUBLICATIONS

Design, docking, MD simulation and in-silco ADMET prediction studies of novel indolebased benzamides targeting estrogen receptor alfa positive for effective breast cancer therapy
JW Bhagyashri, NW Sandip, AC Vivekanda, Y Merve, R Mithun, K Johra, ...
Pharmacia 70 (2), 307-316 , 2023
2023.0
Citations: 10
The systemic study of various vaccines in term of current status of clinical trial, Safety and effectiveness of covid vaccine
SNW Warude B J1 , Bamb Y R1*, Bamb P R1, Walode S.G1
Jour. of Med. P’ceutical & Allied. Sci. 10 (I 6), 3973-3977 , 2021
2021.0
Citations: 1
Formulation and Evaluation of Ashwagandha Hard Candy Lozenges for Reducing Anxiety
VC Dr. Sandip Wagh, Nikita Sonawane, Nikhil Shinde, Ashwini Kshirsagar ...
Int. J. of Pharm. Sci. 3 (7), 3623-3629 , 2025
2025.0
Analytical Detection of Water Quality Parameters Using Flame Photometry, pH Measurement, and Conductivity Analysis
DCU Dr. Sandip Wagh*, Nikhil Shinde, Nikita Sonavane, Pranjal Tak, Dipali ...
Int. J. of Pharm. Sci. 3 (5), 3558-3565 , 2025
2025.0
Exploring The Therapeutic Potential Of Banaba Extract On Immobilized Restrainer Induced Stress Model In Mice
CU Ashvini Kshirsagar*, Sandip Wagh, Swati Jadhav, Aman Upaganlawar
INTERNATIONAL JOURNAL OF PHARMACEUTICAL SCIENCES 2 (6), 1345-1359 , 2024
2024.0
Design, docking, MD simulation and in-silco ADMET prediction studies of novel indole-based benzamides targeting estrogen receptor alfa positive for effective breast cancer therapy
NVS 1) Wagh SN, Warude BJ, Chatpalliwar VA, Yildirim M, Celik I, Rudrapal M ...
Pharmacia 70 (2), 307-316 , 2023
2023.0
Design synthesis and screening of anti proliferative potential of some selective estrogen receptor modulator
SN Wagh
SNJBs Shriman Sureshdada Jain College of Pharmacy,Nashik , 2023
2023.0
Design, Docking, In silico ADME Prediction of Novel 2-substituted-5-hydroxy-1-(1-methyl-3-morpholinopropyl)-1H-indole-3-carboxamide Derivatives for Estrogen Receptor Alfa in AF …
SN Wagh, VA Chatpalliwar
Letters in Drug Design & Discovery 20 (8), 1066-1085 , 2023
2023.0
Design, Docking, Insilco ADME Prediction Of Novel Indole Based Benzamide Scaffolds Targeting For Estrogen Receptor Alfa In Af-2 Domain For Effective Anticancer Treatment
DRMDAAG B. J. Warude1,2 , Dr. V. A. Chatpalliwar*3, S. N. Wagh1, Dr. V. S ...
Journal of Pharmaceutical Negative Results 13 (5), 2662-2680 , 2022
2022.0
Mucormycosis: Review on the basis of Diagnosis Treatment, Preventive Measures, and Recent Research Approach
SNW Warude Bhagyashri1, Gugale Prachi2,*, Jadhav Manasi3, Garud Aniket4 ...
STM Journal 10 (3), 51-62 , 2021
2021.0
Computational Molecular Docking Studies to Design Novel 2, 3-Substituted- 1-(4-(Piperidin-1-yl) butyl)-1H-indol-5-ol Derivatives for Estrogen Receptor Alfa in AF-2 Domain.
VAC S.N. Wagh1,*
STM Journal 12 (3), 15-49 , 2021
2021.0
PHARMACOPHORE BASED MODELLING OF PYRIDINE-PYRIMIDINE ANALOGS AS MER TYROSINE KINASES INHIBITORS IN ANTICANCER THERAPY
SWV Wagh
Int J Pharm Sci & Res 12 (11), 5905-15 , 2021
2021.0
Virtual Screening of Novel 2-substituted -5-hydroxy-1-(2- methyl-3-morpholinopropyl)-1H-indole-3-carboxamide Derivatives for Estrogen Receptor alpha in AF-2 domain for …
VAC S.N. Wagh, B.J. Warude
STM Journal 12 (2), 31-55 , 2021
2021.0
SELECTIVE ESTROGEN RECEPTOR MODULATORS IN TREATMENT OF BREAST CANCER
VAC B.J. Warude 1* , S. N. Wagh 2
The International journal of analytical and experimental modal analysis 13 … , 2021
2021.0
Design synthesis and screening of anti proliferative potential of some selective estrogen receptor modulator
WS Narayan
Pune , 0

INDUSTRY EXPERIENCE

1.5 year at Vadivarhe chemical Speciality limited