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Papers by MANISH Ramchandani

Research paper thumbnail of Cassia siamea Role in Diabetes Management: Insights from In vitro and In silico Investigations on α-Glucosidase and α-Amylase Inhibition

Chemistry Africa, Jun 28, 2024

Research paper thumbnail of Development, characterization, and evaluation of withaferin-A and artesunate-loaded pH-responsive acetal-dextran polymeric nanoparticles for the management of malaria

International journal of biological macromolecules, Jun 1, 2024

Research paper thumbnail of Aptamers as Theranostics in Cardiovascular Diseases

Journal of nanotheranostics, Sep 5, 2023

This article is an open access article distributed under the terms and conditions of the Creative... more This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY

Research paper thumbnail of Development and Evaluation of Novel Amoxicillin and Phytic Acid-Loaded Gastro-Retentive Mucoadhesive Pectin Microparticles for the Management of Helicobacter pylori Infections

Journal of pharmaceutical innovation, Feb 17, 2024

Research paper thumbnail of Aptamers as Theranostics in Cardiovascular Diseases

Journal of Nanotheranostics, 2023

Cardiovascular disease (particularly atherosclerosis) is a leading cause of death around the worl... more Cardiovascular disease (particularly atherosclerosis) is a leading cause of death around the world, and there still exists a need for improved diagnostic techniques and treatments to improve patient outcomes as well as minimize the disease’s global burden. Aptamers are short, single-stranded DNA or RNA molecules that are accompanied by unique characteristics such as specificity, high binding affinity, ease of cellular internalization, and rapid tissue accumulation capabilities, offering great potential as theranostic agents in cardiovascular diseases with significantly improved sensitivity and accuracy. These theranostic agents provide a combination of therapy and diagnostics in which aptamers may diagnose and treat disease simultaneously. Therefore, this review article summarizes the role of aptamer-based probes for imaging and theranostics in cardiovascular disease. It also provides insight into current research and future treatment techniques that are very relevant for future clinical practice with the aim of improving the quality of life of cardiovascular disease patients.

Research paper thumbnail of Structure based drug design and fragment based approach to identify potential methotrexate analogues as dual inhibitors for management of psoriasis

Journal of Biomolecular Structure and Dynamics

Research paper thumbnail of Advances in hydrogel-based controlled drug-delivery systems

Research paper thumbnail of Recent Advancements, Challenges, and Future Prospects in Usage of Nanoformulation as Theranostics in Inflammatory Diseases

Journal of nanotheranostics, Mar 22, 2023

Research paper thumbnail of Computational identification of potential dipeptidyl peptidase (DPP)-IV inhibitors: Structure based virtual screening, molecular dynamics simulation and knowledge based SAR studies

Journal of Molecular Structure, 2021

Abstract Type 2 Diabetes mellitus (T2DM) is a globally leading metabolic problem with increased m... more Abstract Type 2 Diabetes mellitus (T2DM) is a globally leading metabolic problem with increased morbidity and mortality. Current medication therapies in the market to control diabetes are not sufficient and therefore, there is further need to develop more selective and effective treatment approaches. Inhibition of Dipeptidyl-peptidase-IV (DPP-IV) enzyme may serve as an interesting target for developing novel anti-diabetic drug candidate. In the present study, hierarchical virtual screening of drug like compounds was done followed by molecular dynamics simulation and knowledge-based structure-activity relation (SAR) study in order to retrieve hit compound as prospective inhibitors of DPP-IV enzyme. Important amino acid residues present in the active target site were acknowledged as vital and were also found to have similar interactions with the potential hits. Further, in silico technique was undertaken to identify ubiquitous promising hits against DPP-IV enzyme and this was followed by calculation of binding energy and absorption, distribution, metabolism, excretion (ADME) prediction that could possibly support their pharmacokinetic prospective. Furthermore, stability study using molecular dynamics simulation of protein complex was accomplished with the most capable targeted hit established in the present study. In the end, comparative analysis of 3-dimensional binding pose, orientation and planar structure of the potential retrieved hit was done with marketed drugs (alogliptin and sitagliptin) in order to develop knowledge-based structure-activity relationship, which proved the successful designing of DPP-IV enzyme inhibitors.

Research paper thumbnail of Computational identification of potential dipeptidyl peptidase (DPP)-IV inhibitors: Structure based virtual screening, molecular dynamics simulation and knowledge based SAR studies

Journal of molecular structure, 2020

Type 2 Diabetes mellitus (T2DM) is a globally leading metabolic problem with increased morbidity ... more Type 2 Diabetes mellitus (T2DM) is a globally leading metabolic problem with increased morbidity and mortality. Current medication therapies in the market to control diabetes are not sufficient and therefore , there is further need to develop more selective and effective treatment approaches. Inhibition of Dipeptidyl-peptidase-IV (DPP-IV) enzyme may serve as an interesting target for developing novel anti-diabetic drug candidate. In the present study, hierarchical virtual screening of drug like compounds was done followed by molecular dynamics simulation and knowledge-based structure-activity relation (SAR) study in order to retrieve hit compound as prospective inhibitors of DPP-IV enzyme. Important amino acid residues present in the active target site were acknowledged as vital and were also found to have similar interactions with the potential hits. Further, in silico technique was undertaken to identify ubiquitous promising hits against DPP-IV enzyme and this was followed by calculation of binding energy and absorption, distribution, metabolism, excretion (ADME) prediction that could possibly support their pharmacokinetic prospective. Furthermore, stability study using molecular dynamics simulation of protein complex was accomplished with the most capable targeted hit established in the present study. In the end, comparative analysis of 3-dimensional binding pose, orientation and planar structure of the potential retrieved hit was done with marketed drugs (alogliptin and sitagliptin) in order to develop knowledge-based structure-activity relationship, which proved the successful designing of DPP-IV enzyme inhibitors.

Research paper thumbnail of Cassia siamea Role in Diabetes Management: Insights from In vitro and In silico Investigations on α-Glucosidase and α-Amylase Inhibition

Chemistry Africa, Jun 28, 2024

Research paper thumbnail of Development, characterization, and evaluation of withaferin-A and artesunate-loaded pH-responsive acetal-dextran polymeric nanoparticles for the management of malaria

International journal of biological macromolecules, Jun 1, 2024

Research paper thumbnail of Aptamers as Theranostics in Cardiovascular Diseases

Journal of nanotheranostics, Sep 5, 2023

This article is an open access article distributed under the terms and conditions of the Creative... more This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY

Research paper thumbnail of Development and Evaluation of Novel Amoxicillin and Phytic Acid-Loaded Gastro-Retentive Mucoadhesive Pectin Microparticles for the Management of Helicobacter pylori Infections

Journal of pharmaceutical innovation, Feb 17, 2024

Research paper thumbnail of Aptamers as Theranostics in Cardiovascular Diseases

Journal of Nanotheranostics, 2023

Cardiovascular disease (particularly atherosclerosis) is a leading cause of death around the worl... more Cardiovascular disease (particularly atherosclerosis) is a leading cause of death around the world, and there still exists a need for improved diagnostic techniques and treatments to improve patient outcomes as well as minimize the disease’s global burden. Aptamers are short, single-stranded DNA or RNA molecules that are accompanied by unique characteristics such as specificity, high binding affinity, ease of cellular internalization, and rapid tissue accumulation capabilities, offering great potential as theranostic agents in cardiovascular diseases with significantly improved sensitivity and accuracy. These theranostic agents provide a combination of therapy and diagnostics in which aptamers may diagnose and treat disease simultaneously. Therefore, this review article summarizes the role of aptamer-based probes for imaging and theranostics in cardiovascular disease. It also provides insight into current research and future treatment techniques that are very relevant for future clinical practice with the aim of improving the quality of life of cardiovascular disease patients.

Research paper thumbnail of Structure based drug design and fragment based approach to identify potential methotrexate analogues as dual inhibitors for management of psoriasis

Journal of Biomolecular Structure and Dynamics

Research paper thumbnail of Advances in hydrogel-based controlled drug-delivery systems

Research paper thumbnail of Recent Advancements, Challenges, and Future Prospects in Usage of Nanoformulation as Theranostics in Inflammatory Diseases

Journal of nanotheranostics, Mar 22, 2023

Research paper thumbnail of Computational identification of potential dipeptidyl peptidase (DPP)-IV inhibitors: Structure based virtual screening, molecular dynamics simulation and knowledge based SAR studies

Journal of Molecular Structure, 2021

Abstract Type 2 Diabetes mellitus (T2DM) is a globally leading metabolic problem with increased m... more Abstract Type 2 Diabetes mellitus (T2DM) is a globally leading metabolic problem with increased morbidity and mortality. Current medication therapies in the market to control diabetes are not sufficient and therefore, there is further need to develop more selective and effective treatment approaches. Inhibition of Dipeptidyl-peptidase-IV (DPP-IV) enzyme may serve as an interesting target for developing novel anti-diabetic drug candidate. In the present study, hierarchical virtual screening of drug like compounds was done followed by molecular dynamics simulation and knowledge-based structure-activity relation (SAR) study in order to retrieve hit compound as prospective inhibitors of DPP-IV enzyme. Important amino acid residues present in the active target site were acknowledged as vital and were also found to have similar interactions with the potential hits. Further, in silico technique was undertaken to identify ubiquitous promising hits against DPP-IV enzyme and this was followed by calculation of binding energy and absorption, distribution, metabolism, excretion (ADME) prediction that could possibly support their pharmacokinetic prospective. Furthermore, stability study using molecular dynamics simulation of protein complex was accomplished with the most capable targeted hit established in the present study. In the end, comparative analysis of 3-dimensional binding pose, orientation and planar structure of the potential retrieved hit was done with marketed drugs (alogliptin and sitagliptin) in order to develop knowledge-based structure-activity relationship, which proved the successful designing of DPP-IV enzyme inhibitors.

Research paper thumbnail of Computational identification of potential dipeptidyl peptidase (DPP)-IV inhibitors: Structure based virtual screening, molecular dynamics simulation and knowledge based SAR studies

Journal of molecular structure, 2020

Type 2 Diabetes mellitus (T2DM) is a globally leading metabolic problem with increased morbidity ... more Type 2 Diabetes mellitus (T2DM) is a globally leading metabolic problem with increased morbidity and mortality. Current medication therapies in the market to control diabetes are not sufficient and therefore , there is further need to develop more selective and effective treatment approaches. Inhibition of Dipeptidyl-peptidase-IV (DPP-IV) enzyme may serve as an interesting target for developing novel anti-diabetic drug candidate. In the present study, hierarchical virtual screening of drug like compounds was done followed by molecular dynamics simulation and knowledge-based structure-activity relation (SAR) study in order to retrieve hit compound as prospective inhibitors of DPP-IV enzyme. Important amino acid residues present in the active target site were acknowledged as vital and were also found to have similar interactions with the potential hits. Further, in silico technique was undertaken to identify ubiquitous promising hits against DPP-IV enzyme and this was followed by calculation of binding energy and absorption, distribution, metabolism, excretion (ADME) prediction that could possibly support their pharmacokinetic prospective. Furthermore, stability study using molecular dynamics simulation of protein complex was accomplished with the most capable targeted hit established in the present study. In the end, comparative analysis of 3-dimensional binding pose, orientation and planar structure of the potential retrieved hit was done with marketed drugs (alogliptin and sitagliptin) in order to develop knowledge-based structure-activity relationship, which proved the successful designing of DPP-IV enzyme inhibitors.