In silico structure-based designers of therapeutic targets for diabetes mellitus or obesity: A protocol for systematic review

Abstract

Obesity is a significant risk factor for several chronic non-communicable diseases, being closely related to Diabetes Mellitus. Computer modeling techniques favor the understanding of interaction mechanisms between specific targets and substances of interest, optimizing drug development. In this article, the protocol of two protocols of systematic reviews are described for identifying therapeutic targets and models for treating obesity or diabetes mellitus investigated in silico. The protocol is by the guidelines from the Preferred Reporting Items for Systematic Reviews and Meta-Analyzes Protocols (PRISMA-P) and was published in the International Prospective Register of Systematic Reviews database (PROSPERO: CRD42022353808). Search strategies will be developed based on the combination of descriptors and executed in the following databases: PubMed; ScienceDirect; Scopus; Web of Science; Virtual Health Library; EMBASE. Only original in silico studies with molecular dynamics, molecular docking, or both will be inserted. Two trained researchers will independently select the articles, extract the data, and assess the risk of bias. The quality will be assessed through an adapted version of the Strengthening the Reporting of Empirical Simulation Studies (STRESS) and the risk of bias using a checklist obtained from separate literature sources. The implementation of this protocol will result in the elaboration of two systematic reviews identifying the therapeutic targets for treating obesity (review 1) or diabetes mellitus (review 2) used in computer simulation studies and their models. The systematization of knowledge about these treatment targets and their in silico structures is fundamental, primarily because computer simulation contributes to more accurate planning of future either in vitro or in vivo studies. Therefore, the reviews developed from this protocol will guide decision-making regarding the choice of targets/models in future research focused on therapeutics of obesity or Diabetes Mellitus contributing to mitigate of factors such as costs, time, and necessity of in vitro and/or in vivo assays.

In silico structure-based design of peptides or proteins as therapeutic tools for obesity or diabetes mellitus: A protocol for systematic review and meta analysis

“…[ 26 ] There is already the prediction of systematic reviews based on protocol focusing on therapeutic targets in silico structure-based design. According to Gomes et al [ 38 ] , the reviews developed from that protocol will guide decision-making regarding the choice of targets/models in future research focused on therapeutics of obesity or diabetes mellitus. However, therapeutic agents such as peptides and proteins investigated through in silico studies can be promising molecules in generating new drugs, and there is no yet publication with this approach.…”

Modification of the Physicochemical Properties of Active Pharmaceutical Ingredients via Lyophilization

“…Guidelines for considering bias in papers for randomized controlled clinical trials and preclinical studies exist [65,66]. Previously, we proposed a similar tool for in silico studies [54], which has been applied in several systematic reviews [67,68]. To the best of our knowledge, no such approach exists for studies in the field of pharmaceutical analysis.…”